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Dmitrii E. Makarov Molecular Kinetics in Condensed Phases


A guide to the theoretical and computational toolkits for the modern study of molecular kinetics in condensed phases Molecular Kinetics in Condensed Phases: Theory, Simulation and Analysis puts the focus on the theory, algorithms, simulations methods and analysis of molecular kinetics in condensed phases. The authors – noted experts on the topic – offer a detailed and thorough description of modern theories and simulation methods to model molecular events. They highlight the rigorous stochastic modelling of molecular processes and the use of mathematical models to reproduce experimental observations, such as rate coefficients, mean first passage times and transition path times. The book’s exploration of simulations examines atomically detailed modelling of molecules in action and the connections of these simulations to theory and experiment. The authors also explore the applications that range from simple intuitive examples of one- and two-dimensional systems to complex solvated macromolecules. This important book: Offers an introduction to the topic that combines theory, simulation and analysis Presents a guide written by authors that are well-known and highly regarded leaders in their fields Contains detailed examples and explanation of how to conduct computer simulations of kinetics. A detailed study of a two-dimensional system and of a solvated peptide are discussed. Discusses modern developments in the field and explains their connection to the more traditional concepts in chemical dynamics Written for students and academic researchers in the fields of chemical kinetics, chemistry, computational statistical mechanics, biophysics and computational biology, Molecular Kinetics in Condensed Phases is the authoritative guide to the theoretical and computational toolkits for the study of molecular kinetics in condensed phases.

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Dmitrii E. Makarov Chemical Dynamics at Low Temperatures


The first unified treatment of experimental and theoretical advances in low-temperature chemistry Chemical Dynamics at Low Temperatures is a landmark publication. For the first time, the cumulative results of twenty years of experimental and theoretical research into low-temperature chemistry have been collected and presented in a unified treatment. The result is a text/reference that both offers an overview of the subject and contains sufficient detail to guide practicing researchers toward fertile ground for future research. Topics covered include: * Developmental history * Formulation of general problems and the main approximations used to solve them * Specific features of tunneling chemical dynamics * One-dimensional tunneling in the path integral formalism * Special problems of two- and multidimensional tunneling * An extended presentation of pertinent experimental results

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Robert Blankenship E. Molecular Mechanisms of Photosynthesis


The classic and authoritative textbook, Molecular Mechanisms of Photosynthesis,is now fully revised and updated in this much-anticipated second edition. Whilst retaining the first edition’s clear writing style and accessible description of this complex process, updates now include cutting-edge applications of photosynthesis, such as to bioenergy and artificial photosynthesis as well as new analytical techniques. Written by a leading authority in photosynthesis research, this new edition is presented in full color with clear, student-friendly illustrations. An interdisciplinary approach to photosynthesis is taken, with coverage including the basic principles of energy storage, the history and early development of photosynthesis, electron transfer pathways, genetics and evolution. A comprehensive appendix, containing an introduction to the basic chemical and physical principles involved in photosynthesis, is also included. Molecular Mechanisms of Photosynthesis,second edition, is an indispensable text for all students of plant biology, bioenergy, and molecular biology, in addition to researchers in these and related fields looking for an accessible introduction to this vital and integral process to life on earth. stresses an interdisciplinary approach emphasizes recent advances in molecular structures and mechanisms includes the latest insights and research on structural information, improved techniques as well as advances in biochemical and genetic methods comprehensive appendix, which includes a detailed introduction to the physical basis of photosynthesis, including thermodynamics, kinetics, and spectroscopy associated website with downloadable figures as powerpoint slides for teaching

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Группа авторов Advances in Enzymology and Related Areas of Molecular Biology


Enzymes are used frequently in modifying proteins for specialized uses. These books cover the latest advances in this field and its applications in the field of molecular biology. General overview of the latest developments in the field of molecular biology. This is latest volume in the successful Wiley series on enzymology as applied to molecular biology.

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Klaus Behling Mordwaffe Makarov

Prof. Jan Hermans Equilibria and Kinetics of Biological Macromolecules


Progressively builds a deep understanding of macromolecular behavior Based on each of the authors' roughly forty years of biophysics research and teaching experience, this text instills readers with a deep understanding of the biophysics of macromolecules. It sets a solid foundation in the basics by beginning with core physical concepts such as thermodynamics, quantum chemical models, molecular structure and interactions, and water and the hydrophobic effect. Next, the book examines statistical mechanics, protein-ligand binding, and conformational stability. Finally, the authors address kinetics and equilibria, exploring underlying theory, protein folding, and stochastic models. With its strong emphasis on molecular interactions, Equilibria and Kinetics of Biological Macromolecules offers new insights and perspectives on proteins and other macromolecules. The text features coverage of: Basic theory, applications, and new research findings Related topics in thermodynamics, quantum mechanics, statistical mechanics, and molecular simulations Principles and applications of molecular simulations in a dedicated chapter and interspersed throughout the text Macromolecular binding equilibria from the perspective of statistical mechanics Stochastic processes related to macromolecules Suggested readings at the end of each chapter include original research papers, reviews and monographs, enabling readers to explore individual topics in greater depth. At the end of the text, ten appendices offer refreshers on mathematical treatments, including probability, computational methods, Poisson equations, and defining molecular boundaries. With its classroom-tested pedagogical approach, Equilibria and Kinetics of Biological Macromolecules is recommended as a graduate-level textbook for biophysics courses and as a reference for researchers who want to strengthen their understanding of macromolecular behavior.

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Eks Aleksey Dmitrii Shilov: from bankput to millionaire


The book “From bankrupt to millionaire” is not retelling videos from Youtube channel of Dmitrii Shilov, these videos can be seen by anyone today. On these pages you can find out how Mitya got into big debts and then not only got out of them but got rich. By the beginning of 2019 more than 600 thousand users are subscribed for Dmitrii Shilov’s Youtube Channel and the monthly income of Mitya is measured in thousands.

488 RUR

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Drew Provan Molecular Hematology


Unique text providing a core knowledge base for those with little exposure to molecular biological methods Molecular Haematology provides essential reading for those with minimal exposure to, or understanding of, molecular biological techniques. There is an extensive glossary and each chapter is written with the non-specialist in mind. Molecular Haematology is ideal for: Trainees and residents in hematology Hematologists in practice Why Buy This Book? Unique text providing a core knowledge base for those with little exposure to molecular biological methods Focuses on the clinical relevance of molecular biology in haematology Complete revision of text and ten new chapters to cover all groundbreaking developments in the field Each chapter summarizes the impact made by molecular research on understanding the pathogenesis of a variety of blood disorders International team of contributors recruited from top specialist units around the world

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Kenny Lipkowitz B. Reviews in Computational Chemistry


This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Topics covered in Volume 18 include molecular modeling, computer-assisted molecular design (camd), quantum chemistry, molecular mechanics and dynamics, and quantitative structure-activity relationships (qsar).

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Robert Henry J. Molecular Markers in Plants


Molecular Markers in Plants surveys an array of technologies used in the molecular analysis of plants. The role molecular markers play in plant improvement has grown significantly as DNA sequencing and high-throughput technologies have matured. This timely review of technologies and techniques will provide readers with a useful resource on the latest molecular technologies. Molecular Markers in Plants not only reviews past achievements, but also catalogs recent advances and looks forward towards the future application of molecular technologies in plant improvement. Opening chapters look at the development of molecular technologies. Subsequent chapters look at a wide range of applications for the use of these advances in fields as diverse as plant breeding, production, biosecurity, and conservation. The final chapters look forward toward future developments in the field. Looking broadly at the field of molecular technologies, Molecular Markers in Plants will be an essential addition to the library of every researcher, institution, and company working in the field of plant improvement.

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Home [makarov.cm.utexas.edu]

Theoretical Chemical Physics. Dmitrii E. Makarov Department of Chemistry and Institute for Computational Engineering and Sciences University of Texas at Austin contact me

Molecular Biophysics Portfolio :: Dmitrii E. Makarov

Dmitrii E. Makarov received his undergraduate degree in physics in 1990 from Moscow Institute of Physics and Technology and a PhD in theoretical physics in 1992 from the Institute of Chemical Physics in Moscow.

MAKAROV, DMITRII E - Chemistry - CNS Directory

Dmitrii E Makarov Professor, Core Faculty Department of Chemistry, Oden Institute. Website. makarov@cm.utexas.edu Phone: 512-471-4575 Office Location WEL 3.132A Postal Address 105 E 24TH ST AUSTIN, TX 78712. Research Areas; Centers; Biophysics Chemical Biology Chemical Physics and Dynamics Chemical Theory and Computation Computational Biology Materials Molecular Biology Nanoscience and ...

‪Dmitrii Makarov‬ - ‪Google Scholar‬

Dmitrii Makarov. University of Texas, Austin. Verified email at cm.utexas.edu. biophysics chemical physics. Articles Cited by. Title. Sort. Sort by citations Sort by year Sort by title. Cited by. Cited by. Year; van der Waals energies in density functional theory. W Kohn, Y Meir, DE Makarov. Physical Review Letters 80 (19), 4153, 1998. 627: 1998: Tensor propagator for iterative quantum time ...

Single Molecule Science: Amazon.de: Dmitrii E. Makarov ...

Single Molecule Science | Dmitrii E. Makarov | ISBN: 9781466559516 | Kostenloser Versand für alle Bücher mit Versand und Verkauf duch Amazon.

Dmitrii E. Makarov’s publications

Dmitrii E. Makarov, New and Notable: unraveling individual molecules by mechanical forces: Theory meets experiment, Biophysical Journal, 92 (2007) 4135-4136. 61. Z.S. Wang, Kevin W. Plaxco and Dmitrii E. Makarov, Influence of local, residual structure on the scaling behavior and dimensions of unfolded proteins, Biopolymers 86 (2007) 321-328 62. Lei Huang and Dmitrii E. Makarov, Langevin ...

Dmitrii E Makarov - Routledge & CRC Press Author Profile

Dmitrii E Makarov - Routledge & CRC Press Author Profile. Publisher of Humanities, Social Science & STEM Books Skip to main content. Free Standard Shipping. Shipping Region. Sign in Create an account. My Account ...

Dmitri Leonidowitsch Makarow – Wikipedia

Dmitri Leonidowitsch Makarow (russisch Дмитрий Леонидович Макаров; * 6. Dezember 1983 in Ufa, Russische SFSR) ist ein russischer Eishockeyspieler, der zuletzt beim HK Jugra Chanty-Mansijsk aus der Kontinentalen Hockey-Liga unter Vertrag stand.

Molecular kinetics in condensed phases : theory ...

Molecular kinetics in condensed phases : theory, simulation, and analysis / Ron Elber, Dmitrii E Makarov, Henri Orland. Author/Creator: Elber, Ron author. Edition: First edition. Publication: Hoboken, NJ, USA : John Wiley & Sons Ltd, 2020. Format/Description: Book 1 online resource (xix, 261 pages.) Subjects: Chemical kinetics -- Mathematical models. Stochastic processes -- Mathematical models ...

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Dmitrii E. Makarov - Publications

Dickson BM, Makarov DE, Henkelman G. Pitfalls of choosing an order parameter for rare event calculations. The Journal of Chemical Physics. 131: 074108. PMID 19708733 DOI: 10.1063/1.3204008 : 1: 2009: Uzawa T, Cheng RR, Cash KJ, Makarov DE, Plaxco KW. The length and viscosity dependence of end-to-end collision rates in single-stranded DNA.

Dmitrii E Makarov's research works | University of Texas ...

Dmitrii E Makarov's research works | University of Texas at Austin, TX (UT) and other places Dmitrii E Makarov's research while affiliated with University of Texas at Austin and other places...

Dr. Dmitrii E. Makarov

Dr. Dmitrii E. Makarov The University of Texas at Austin Department of Chemistry, Professor Friday, February 6, 2015 BB 3.04.18 3:00 PM Single-molecule measurements of protein folding and dynamics In the past two decades, single-molecule experiments have evolved from being state-of-the-art prof-of-principle demonstrations to nearly routine tools of modern biophysics, enabling one, for example ...

MAKAROV Dmitrii - Athlete Information

Dmitrii MAKAROV. RUS Russia. FIS Code 2530389; Birthdate 14-11-1996; Age 23; Status Active; Gender Male; Marital Status – – Children – – Occupation – – Nickname – – Residence – – Languages – – Hobbies – – Skis – – Boots – – Poles – – *The NSA is responsible for the athletes' biography update. // The manufacturers are responsible for the equipment update ...

Single Molecule Science : Dmitrii E. Makarov : 9781466559516

Single Molecule Science by Dmitrii E. Makarov, 9781466559516, available at Book Depository with free delivery worldwide.

Dmitrij Makarov – Hochschule Offenburg – Baden-Baden ...

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Makarov, Dmitrii E. | onAcademic

makarov, dmitrii e. metiu, horia topaler, maria hansma, helen g. makri, nancy wang, zhisong satija, rohit c. l. dmitrii a. hansma, paul k. View More... Journal the journal of chemi... physical review e biophysical journal chemical physics let... geochimica et cosmoc... journal of chemical ... journal of physical ...

Chemistry Tree - Dmitrii E. Makarov Family Tree

Adding trainee for Dmitrii Makarov Type a name and select match from the drop-down list. If no match exists, you will be prompted to add a new person to the tree. Name: School: Department: Relationship: Comments: Cancel Save. Adding mentor for Dmitrii Makarov Type a name and select match from the drop-down list. If no match exists, you will be prompted to add a new person to the tree. ...

Dr Dmitriy Makarov - Reader in Hydrogen Production and ...

Dr Dmitriy Makarov obtained his mechanical engineer degree from Bauman Moscow State Technical University in 1991, and PhD in computational fluid dynamics from the same university in 1995. Since then he has been working in the area of computational fluid dynamics specializing in modelling of turbulent and reacting systems. In 1997-2000 he is a senior researcher at the All-Russian Research ...

Dmitri Makarov | The Cosmic Defence Coalition Wiki | Fandom

Dmitri Nikolaivich Makarov, known as "Dima" to his friends is a Russian under the employment of the Genji Japanese Imperial Security Bureau. He takes the appearance of a slacker on a computer while using said computer for his missions. He is connected to the Russian underworld and extent to the oligarchy that pull the strings. 1 History 1.1 Early life 1.2 ISB Induction 1.3 Going Legit 1.4 ...

Search Results - "Dmitrii E. Makarov"

Search: "Dmitrii E. Makarov" Showing 1 - 20 of 108 for search: '"Dmitrii E. Makarov"', query time: 1.81s . Sort. 1 . Transition path times of coupled folding and binding reveal the formation of an encounter complex . by Sturzenegger, Flurin, Zosel, Franziska ...

Search Results - "Makarov, Dmitrii E"

Showing 1 - 20 results of 183 for search '"Makarov, Dmitrii E"', query time: 1.66s Narrow search . Results per page. Sort. Select all | with selected: result_checkbox_label. 1 Journal Article. Transition path times of coupled folding and binding reveal the formation of an encounter complex . by Sturzenegger, Flurin Zosel, Franziska Holmstrom, Erik D Buholzer, Karin J Makarov, Dmitrii E Nettels ...

Single Molecule Science: Physical Principles and Models ...

Dmitrii E. Makarov is a professor of chemistry at the University of Texas at Austin. He earned a PhD in theoretical physics from the Institute of Chemical Physics in Moscow. His expertise is in theoretical and computational chemical physics and in biophysics. Product details. ASIN : 1466559519; Publisher : CRC Press; 1st edition (June 9, 2015) Language: : English; Hardcover : 214 pages; ISBN ...

Makarov Dmitrii E. Makarov - Bertrand Livreiros - livraria ...

Makarov Dmitrii E. Makarov - consulte a biografia e bibliografia do autor de Molecular Kinetics In Condensed Phases e Molecular Kinetics In Condensed Phases

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Dmitry Makarov Brand - Live | Facebook

Dmitry Makarov Brand, Киев. 146 likes · 46 talking about this. Бизнес страница Дмитрия Макарова

Dmitri Makarov (ice hockey) - Wikipedia

Dmitri Leonidovich Makarov (born December 6, 1983) is a Russian professional ice hockey winger who is currently an unrestricted free agent.He most recently played for HC Yugra of the Kontinental Hockey League (KHL).. After his second year with Torpedo Nizhny Novgorod in the 2012–13 season, Makarov was traded in the off-season to return to Salavat Yulaev in exchange for Denis Parshin and ...

JuLib | Books & more - Makarov, Dmitrii E.

1 Elber, Ron 1 Makarov, Dmitrii E. 1 Orland, Henri Subject 1 Fokker Planck equation 1 Monte Carlo method 1 analysis 1 barrier 1 chemical reaction 1 computer simulation more ... 1 condensed matter conformational analysis 1 diffusion 1 dynamics 1 kinetics 1

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Dmitriy Makarov (E), 40 - Goffstown, NH Background Report ...

Dmitriy Makarov; Dmitriy Makarov's Reputation Profile. 0 Profile Searches Follow. Court Records found View. Criminal or Civil Court records found on Dmitriy's Family, Friends, Neighbors, or Classmates View Details. Dmitriy Makarov, 40 Goffstown, NH. This is Me - Control Profile. Photos | Summary | Follow. View Photos . BAD 1 - 2 POOR 2 - 3 FAIR 3 - 4 GOOD 4 - 5. BAD GOOD. Rate Dmitriy ...

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JuLib | Books & more - Makarov, Dmitrii E.

1 Elber, Ron 1 Makarov, Dmitrii E. 1 Orland, Henri Subject . 1 Fokker Planck equation 1 Monte Carlo method 1 analysis 1 barrier 1 chemical reaction 1 computer simulation more ... 1 condensed matter 1 conformational analysis 1 ...

Dmitrii Makarov | International Paralympic Committee

Paralympic athlete Dmitrii Makarov, born 5 March 1997, competes for in Athletics

Dmitry Makarov's profile on Product Hunt | Product Hunt

Dmitry Makarov #1075373 @dmitriimakarov. Follow. Activity 1 Following 1 Followers. Upvote (1) Deskun. Communicate across all social channels in Gmail 43. Chrome Extensions. 192. Joined on November 8th, 2017. Followed Topics. Developer Tools, Artificial Intelligence, Tech. Tweet Share copy link. Comments 💬 ...

Dmitri Makarov - IMDb

Dmitri Makarov, Sound Department: The Avengers. Check out IMDb's highest-rated movies and TV shows of 2020, most-viewed trailers, top stars, memorable moments, and more!

Dmitrii Makarov | Oden Institute | U.T. Austin

Dmitrii Makarov. Dmitrii Makarov is professor of chemistry and biochemistry, and affiliated with the Center for Computational Molecular Sciences at the Oden Institute for Computational Engineering & Sciences at UT Austin. He earned his B.S. in physics from the Moscow Institute of Physics and Technology, and his Ph.D. in theoretical physics, from the Institute of Chemical Physics in Moscow ...

Dmitry Malikov - Wikipedia

Early life. Dmitry Malikov, who goes by his nickname Dima (Дима), was born in Moscow, Soviet Union.His mother, Lyudmila Mikhailovna Vyunkova, was a dancer, and his father, Yuriy Fedorovich Malikov (Юрий Федорович Маликов), was part of a band called Samotsvety (Самоцветы). This combination of parental talent had a large influence in his becoming a musician.

Dmitry Makarov – MBA Candidate – IMD Business School ...

Sehen Sie sich das Profil von Dmitry Makarov im größten Business-Netzwerk der Welt an. Im Profil von Dmitry Makarov sind 9 Jobs angegeben. Auf LinkedIn können Sie sich das vollständige Profil ansehen und mehr über die Kontakte von Dmitry Makarov und Jobs bei ähnlichen Unternehmen erfahren.

Dmitriy MAKAROV | Researcher | PhD | Institute of Solution ...

Dmitriy M. Makarov currently works at the Structure and dynamics of molecular and ion-molecular solutions, Institute of Solution Chemistry of RAS. Dmitriy does research in Chemical Thermodynamics ...

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Vladimir Makarov | Call of Duty Wiki | Fandom

Vladimir A. Makarov (russisch: Влади́мир Р. Мака́ров, * 04. Oktober 1970 in Iwanowo,Russland; † 21. Januar 2017 in Dubai, Vereinigte Arabische Emirate) ist der Anführer einer ultranationalistischen Terrororganisation. Er ist einer der Hauptkontrahenten in Call of Duty: Modern Warfare 2 und der…

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Dmitrii Makarov | Facebook

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Suchergebnisse - Schlagwort:"Elementarreaktion"

Filter aufheben VerfasserIn: Makarov, Dmitrii E. Medienart . 1 Bücher 1 Gedruckte Bücher Bibliothek ...

Staff - Dmitry Makarov — HSE University

Dmitry Makarov; RU; EN; Search. Advanced search. Home Teaching Research and Publications In HSE news. Language Proficiency English Contacts Phone: +7 (495) 772-95-90 27065 E-mail: Address: 11 Pokrovsky Bulvar, Pokrovka Complex, room S725 Website Timetable Download CV SPIN-RSCI: 6896-6873 ORCID ...

Andrei Gakh A. Molecular Devices. An Introduction to Technomimetics and its Biological Applications


Comprehensive look at mechanical molecular devices that mimic the behavior of man-made devices Molecular devices and molecular machines are individual molecules and molecular systems capable of providing valuable device-like functions. Many of them have distinct conventional prototypes and therefore can be identified as technomimetic molecules. The last decade has seen an increasing rate of practical applications of molecular devices and machines, primarily in biomedical and material science fields. Molecular devices: An Introduction to Technomimetics and its Biological Applications focuses on mechanical molecular devices, including the early set of technomimetic molecules. Topics covered include the many simple molecular devices such as container compounds, gearing systems, belts and tubes, and tweezers. It touches upon each molecular machine and discusses in great detail the importance of their applications as well as the latest progress in the fields of chemistry, physics, and biotechnology. Interdisciplinary: Must-have content for physicists, chemists, and biologists Comprehensive: Details an extensive set of mechanical technomimetic molecular devices Thorough: Starts with the fundamental material characterization and finishes with real-world device application Molecular devices: An Introduction to Technomimetics and its Biological Applications is an important book for graduate students, researchers, scientists, and engineers in the fields of chemistry, materials science, molecular physics, engineering, biotechnology, and molecular medicine.

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Whitehouse David Molecular and Cellular Therapeutics


Molecular and Cellular Therapeutics aims to bring together key developments in the areas of molecular diagnostics, therapeutics and drug discovery. The book covers topics including diagnostics, therapeutics, model systems, clinical trials and drug discovery. The developing approaches to molecular and cellular therapies, diagnostics and drug discovery are presented in the context of the pathologies they are devised to treat.

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Группа авторов Molecular Modeling of Geochemical Reactions


Molecular processes in nature affect human health, the availability of resources and the Earth’s climate. Molecular modelling is a powerful and versatile toolbox that complements experimental data and provides insights where direct observation is not currently possible. Molecular Modeling of Geochemical Reactions: An Introduction applies computational chemistry to geochemical problems. Chapters focus on geochemical applications in aqueous, petroleum, organic, environmental, bio- and isotope geochemistry, covering the fundamental theory, practical guidance on applying techniques, and extensive literature reviews in numerous geochemical sub-disciplines. Topics covered include: • Theory and Methods of Computational Chemistry • Force Field Application and Development • Computational Spectroscopy • Thermodynamics • Structure Determination • Geochemical Kinetics This book will be of interest to graduate students and researchers looking to understand geochemical processes on a molecular level. Novice practitioners of molecular modelling, experienced computational chemists, and experimentalists seeking to understand this field will all find information and knowledge of use in their research.

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Scott E. Denmark Topics in Stereochemistry


Topics in Stereochemistry covers the fundamental principles of physical chemistry and molecular physics while dealing with certain stereochemical aspects of organic chemistry and biochemistry.

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Kenny Lipkowitz B. Reviews in Computational Chemistry


A select group of scientists from around the world join in this volume to create unique chapters aimed at both the novice molecular modeler and the expert computational chemist. Chapter 1 shows how molecular modeling of peptidomimetics plays a key role in drug discovery. Specific examples of successful computer-aided drug design are spelled out. Chapter 2 is a definitive exposition on thermodynamic perturbation and thermodynamic integration approaches in molecular dynamics simulations. Three additional chapters elucidate molecular modeling of carbohydrates, the best empirical force fields to use in molecular mechanics, and molecular shape as a useful quantitative descriptor.

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Группа авторов Reviews in Computational Chemistry


The Reviews in Computational Chemistry series brings together leading authorities in the field to teach the newcomer and update the expert on topics centered on molecular modeling, such as computer-assisted molecular design (CAMD), quantum chemistry, molecular mechanics and dynamics, and quantitative structure-activity relationships (QSAR). This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Topics in Volume 29 include: Noncovalent Interactions in Density-Functional Theory Long-Range Inter-Particle Interactions: Insights from Molecular Quantum Electrodynamics (QED) Theory Efficient Transition-State Modeling using Molecular Mechanics Force Fields for the Everyday Chemist Machine Learning in Materials Science: Recent Progress and Emerging Applications Discovering New Materials via a priori Crystal Structure Prediction Introduction to Maximally Localized Wannier Functions Methods for a Rapid and Automated Description of Proteins: Protein Structure, Protein Similarity, and Protein Folding

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Группа авторов Molecular Mechanisms of Photosynthesis


Molecular Mechanisms of Photosynthesis stands as an ideal introduction to this subject. Robert Blankenship, a leading authority in photosynthesis research, offers a modern approach to photosynthesis in this accessible and well-illustrated text. The book provides a concise overview of the basic principles of energy storage and the history of the field, then progresses into more advanced topics such as electron transfer pathways, kinetics, genetic manipulations, and evolution. Throughout, Blankenship includes an interdisciplinary emphasis that makes this book appealing across fields. Leading authority in Photosynthesis and the the President of the International Society of Photosynthesis Research. First authoritative text to enter the market in 10 years. Stresses an interdisciplinary approach, which appeals to all science students. Emphasizes the recent advances in molecular structures and mechanisms. Only text to contain comprehensive coverage of both bacterial and plant photosynthesis. Includes the latest insights and research on structural information, improved spectroscopic techniques as well as advances in biochemical and genetic methods. Presents the most extensive treatment of the Origin and evolution of photosynthesis. Comprehensive appendix, which includes a detailed introduction to the physical basis of photosynthesis, including thermodynamics, kinetics and spectroscopy.

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Ian Dunn S. Searching for Molecular Solutions. Empirical Discovery and Its Future


A comprehensive look at empirical approaches to molecular discovery, their relationships with rational design, and the future of both Empirical methods of discovery, along with serendipitous and rational design approaches, have played an important role in human history. Searching for Molecular Solutions compares empirical discovery strategies for biologically useful molecules with serendipitous discovery and rational design, while also considering the strengths and limitations of empirical pathways to molecular discovery. Logically arranged, this text examines the different modes of molecular discovery, empha-sizing the historical and ongoing importance of empirical strategies. Along with a broad overview of the subject matter, Searching for Molecular Solutions explores: The differing modes of molecular discovery Biological precedents for evolutionary approaches Directed evolutionary methods and related areas Enzyme evolution and design Functional nucleic acid discovery Antibodies and other recognition molecules General aspects of molecular recognition Small molecule discovery approaches Rational molecular design The interplay between empirical and rational strategies and their ongoing roles in the future of molecular discovery Searching for Molecular Solutions covers several major areas of modern research, development, and practical applications of molecular sciences. This text offers empirical-rational principles of broad relevance to scientists, professionals, and students interested in general aspectsof molecular discovery, as well as the thought processes behind experimental approaches. Note: CD-ROM/DVD and other supplementary materials are not included as part of eBook file.

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Patrick Norman Principles and Practices of Molecular Properties


A comprehensive yet accessible exploration of quantum chemical methods for the determination of molecular properties of spectroscopic relevance Molecular properties can be probed both through experiment and simulation. This book bridges these two worlds, connecting the experimentalist's macroscopic view of responses of the electromagnetic field to the theoretician’s microscopic description of the molecular responses. Comprehensive in scope, it also offers conceptual illustrations of molecular response theory by means of time-dependent simulations of simple systems. This important resource in physical chemistry offers: A journey in electrodynamics from the molecular microscopic perspective to the conventional macroscopic viewpoint The construction of Hamiltonians that are appropriate for the quantum mechanical description of molecular properties Time- and frequency-domain perspectives of light–matter interactions and molecular responses of both electrons and nuclei An introduction to approximate state response theory that serves as an everyday tool for computational chemists A unified presentation of prominent molecular properties Principles and Practices of Molecular Properties: Theory, Modeling and Simulations is written by noted experts in the field. It is a guide for graduate students, postdoctoral researchers and professionals in academia and industry alike, providing a set of keys to the research literature.

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Группа авторов An Introduction to Molecular Medicine and Gene Therapy


Gene therapy, or the use of genetic manipulation for disease treatment, is derived from advances in genetics, molecular biology, clinical medicine, and human genomics. Molecular medicine, the application of molecular biological techniques to disease treatment and diagnosis, is derived from the development of human organ transplantation, pharmacotherapy, and elucidation of the human genome. An Introduction to Molecular Medicine and Gene Therapy provides a basis for interpreting new clinical and basic research findings in the areas of cloning, gene transfer, and targeting; the applications of genetic medicine to clinical conditions; ethics and governmental regulations; and the burgeoning fields of genomics, biotechnology, and bioinformatics. By dividing the material into three sections – an introduction to basic science, a review of clinical applications, and a discussion of the evolving issues related to gene therapy and molecular medicine-this comprehensive manual describes the basic approaches to the broad range of actual and potential genetic-based therapies. In addition, An Introduction to Molecular Medicine and Gene Therapy: Covers new frontiers in gene therapy, animal models, vectors, gene targeting, and ethical/legal considerations Provides organ-based reviews of current studies in gene therapy for monogenetic, multifactoral or polygenic disorders, and infectious diseases Includes bold-faced terms, key concepts, summaries, and lists of helpful references by subject in each chapter Contains appendices on commercial implications and a review of the history of gene therapy This textbook offers a clear, concise writing style, drawing upon the expertise of the authors, all renowned researchers in their respective specialties of molecular medicine. Researchers in genetics and molecular medicine will all find An Introduction to Molecular Medicine and Gene Therapy to be an essential guide to the rapidly evolving field of gene therapy and its applications in molecular medicine.

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