Properties And Chemistry Of Biomolecular Systems

Author : N. Russo,Jane Anastassopoulou,Guido Barone
Publisher : Springer Science & Business Media
Page : 411 pages
File Size : 53,7 Mb
Release : 2012-12-06
Category : Science
ISBN : 9789401108225

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Properties and Chemistry of Biomolecular Systems by N. Russo,Jane Anastassopoulou,Guido Barone Pdf

During the last decade, interest in the chemistry of biological systems, as well as in molecular chemical engineering, has grown considerably. Many fields in modern chemistry are contributing to a better understanding of elementary mechanisms of various biological processes and this has resulted in the development of new classes of organic and organometallic compounds with specific and high biological activity. Such a multidisciplinary approach creates opportunities for an exchange of ideas and the need to create a common language. This volume contains a collection of papers, written by leading scientists which collectively provide a rich overview of current research activities relating to the chemistry of biological systems. These papers emphasize the interdisciplinary nature of this research. For researchers in academia and industry whose work involves the chemistry and properties of biomolecular systems.

Author : E. Rizzarelli,T. Theophanides
Publisher : Springer Science & Business Media
Page : 231 pages
File Size : 50,9 Mb
Release : 2013-04-17
Category : Science
ISBN : 9789401136204

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Chemistry and Properties of Biomolecular Systems by E. Rizzarelli,T. Theophanides Pdf

Author : Jean-Pierre Schermann
Publisher : Elsevier
Page : 499 pages
File Size : 47,6 Mb
Release : 2007-10-16
Category : Science
ISBN : 9780080558226

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Spectroscopy and Modeling of Biomolecular Building Blocks by Jean-Pierre Schermann Pdf

Spectroscopy and Modeling of Biomolecular Building Blocks presents an overview of recent advances in the intertwining of the following research fields: photon and electron spectroscopy, quantum chemistry, modelling and mass-spectrometry. The coupling of these disciplines offers a new point of view to the understanding of isolated elementary building blocks of biomolecules and their assemblies. It allows the unambiguous separation between intrinsic properties of biomolecular systems and those induced by the presence of their environment. The first chapters provide background in modelling (I), frequency-resolved spectroscopy using microwave, infrared and UV photons, time-resolved spectroscopy in the femtosecond domain and energy-resolved electron spectroscopy (II) and production of gas-phase neutral and ionic biomolecular species, mass-spectrometry, ion mobility and BIRD techniques (III). Chapter IV is devoted to case studies of gas-phase experimental investigations coupled to quantum or classical calculations. The topics are structural studies of nucleobases and oligonucleotides, peptides and proteins, sugars; neuromolecules; non-covalent complexes; chiral systems, interactions of low-energy electrons with biomolecules in the radiation chemistry context and very large gas-phase biomolecular systems. The fifth chapter concerns the link between gas-phase and liquid-phase. Different treatments of solvation are illustrated through examples pointing out the influence of progressive addition of water molecules upon properties of nucleobases, peptides, sugars and neuromolecules. Offer a new perspective to the understanding of isolated elementary building blocks of bio molecules Includes case studies of experimental investigations coupled to quantum or classical calculations

Author : Jules Duchesne
Publisher : John Wiley & Sons
Page : 778 pages
File Size : 54,8 Mb
Release : 1964
Category : Biochemistry
ISBN : UOM:39015072121224

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The Structure and Properties of Biomolecules and Biological Systems by Jules Duchesne Pdf

Author : R. McWeeny,Jean Maruani,Y.G. Smeyers,S. Wilson
Publisher : Springer Science & Business Media
Page : 397 pages
File Size : 47,9 Mb
Release : 2012-12-06
Category : Science
ISBN : 9789401148948

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Quantum Systems in Chemistry and Physics. Trends in Methods and Applications by R. McWeeny,Jean Maruani,Y.G. Smeyers,S. Wilson Pdf

Quantum Systems in Chemistry and Physics contains a refereed selection of the papers presented at the first European Workshop on this subject, held at San Miniato, near Pisa, Italy, in April 1996. The Workshop brought together leading experts in theoretical chemistry and molecular physics with an interest in the quantum mechanical many-body problem. This volume provides an insight into the latest research in this increasingly important field. Throughout the Workshop, the emphasis was on innovative theory and conceptual developments rather than on computational implementation. The various contributions presented reflect this emphasis and embrace topics such as density matrices and density functional theory, relativistic formulations, electron correlation, valence theory, nuclear motion, response theory, condensed matter, and chemical reactions. Audience: The volume will be of interest to those working in the molecular sciences and to theoretical chemists and molecular physicists in particular.

Author : Gregory A. Voth
Publisher : CRC Press
Page : 492 pages
File Size : 45,9 Mb
Release : 2008-09-22
Category : Science
ISBN : 9781420059564

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Coarse-Graining of Condensed Phase and Biomolecular Systems by Gregory A. Voth Pdf

Exploring recent developments in the field, Coarse-Graining of Condensed Phase and Biomolecular Systems examines systematic ways of constructing coarse-grained representations for complex systems. It explains how this approach can be used in the simulation and modeling of condensed phase and biomolecular systems. Assembling some of the most influential, world-renowned researchers in the field, this book covers the latest developments in the coarse-grained molecular dynamics simulation and modeling of condensed phase and biomolecular systems. Each chapter focuses on specific examples of evolving coarse-graining methodologies and presents results for a variety of complex systems. The contributors discuss the minimalist, inversion, and multiscale approaches to coarse-graining, along with the emerging challenges of coarse-graining. They also connect atomic-level information with new coarse-grained representations of complex systems, such as lipid bilayers, proteins, peptides, and DNA.

Author : Y. Ellinger,M. Defranceschi
Publisher : Springer Science & Business Media
Page : 462 pages
File Size : 49,5 Mb
Release : 2006-04-11
Category : Science
ISBN : 9780306469305

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Strategies and Applications in Quantum Chemistry by Y. Ellinger,M. Defranceschi Pdf

At the time when increasing numbers of chemists are being attracted by the fascination of supposedly easy computing and associated colourful imaging, this book appears as a counterpoint. The first part focuses on fundamental concepts of quantum chemistry, covering MCSCF theory, perturbation treatments, basis set developments, density matrices, wave function instabilities to correlation effects, and momentum space theory. The second part is devoted to more practical studies, ranging from the characterisation of exotic interstellar molecules, the accurate determination of spectroscopic constants, excited states structures and EPR parameters through photochemical and charge-transfer processes, cluster chemistry and fullerenes, muonium chemistry, to the possible prediction of the response of materials to electric fields in view of nonlinear optical applications. Audience: Graduate students and researchers whose work involves quantum chemistry, molecular physics, and materials modelling.

Author : Alliant Computer Systems Corporation
Publisher : Springer
Page : 240 pages
File Size : 41,8 Mb
Release : 1989-02-28
Category : Computers
ISBN : UOM:39015018156631

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Computer Simulation of Biomolecular Systems by Alliant Computer Systems Corporation Pdf

Author : Benoit Roux
Publisher : World Scientific
Page : 209 pages
File Size : 55,9 Mb
Release : 2021-08-23
Category : Computers
ISBN : 9789811232770

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Computational Modeling And Simulations Of Biomolecular Systems by Benoit Roux Pdf

This textbook originated from the course 'Simulation, Modeling, and Computations in Biophysics' that I have taught at the University of Chicago since 2011. The students typically came from a wide range of backgrounds, including biology, physics, chemistry, biochemistry, and mathematics, and the course was intentionally adapted for senior undergraduate students and graduate students. This is not a highly technical book dedicated to specialists. The objective is to provide a broad survey from the physical description of a complex molecular system at the most fundamental level, to the type of phenomenological models commonly used to represent the function of large biological macromolecular machines.The key conceptual elements serving as building blocks in the formulation of different levels of approximations are introduced along the way, aiming to clarify as much as possible how they are interrelated. The only assumption is a basic familiarity with simple mathematics (calculus and integrals, ordinary differential equations, matrix linear algebra, and Fourier-Laplace transforms).

Author : Lionello Pogliani,Francisco Torrens,A. K. Haghi
Publisher : CRC Press
Page : 270 pages
File Size : 51,8 Mb
Release : 2019-09-12
Category : Science
ISBN : 9780429595318

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Molecular Chemistry and Biomolecular Engineering by Lionello Pogliani,Francisco Torrens,A. K. Haghi Pdf

This new volume is devoted to molecular chemistry and its applications to the fields of biology. It looks at the integration of molecular chemistry with biomolecular engineering, with the goal of creating new biological or physical properties to address scientific or societal challenges. It takes a both multidisciplinary and interdisciplinary perspective on the interface between molecular biology, biophysical chemistry, and chemical engineering. Molecular Chemistry and Biomolecular Engineering: Integrating Theory and Research with Practice provides effective support for the development of the laboratory and data analysis skills that researchers will draw on time and again for the practical aspects and also gives a solid grounding in the broader transferable skills.

Author : Kenny B. Lipkowitz,Donald B. Boyd
Publisher : John Wiley & Sons
Page : 434 pages
File Size : 52,6 Mb
Release : 2009-09-22
Category : Science
ISBN : 9780470126165

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Reviews in Computational Chemistry, Volume 12 by Kenny B. Lipkowitz,Donald B. Boyd Pdf

VOLUME 12 REVIEWS IN COMPUTATIONAL CHEMISTRY Kenny B. Lipkowitz and Donald B. Boyd HOW DOES ONE COMPUTE FREE ENERGY AND ENTROPY FROM MOLECULAR SIMULATIONS? WHAT HAPPENS WHEN SIMULATIONS ARE RUN WITH CONSTRAINTS? HOW SHOULD SIMULATIONS BE PERFORMED TO MODEL INTERFACIAL PHENOMENA? HOW IS DENSITY FUNCTIONAL THEORY USED TO SIMULATE MATERIALS? WHAT QUANTUM MECHANICAL METHODS SHOULD BE USED TO COMPUTE NONLINEAR OPTICAL PROPERTIES OF MATERIALS? WHICH PARAMETERS ARE MOST INFLUENTIAL IN A MOLECULAR SIMULATION? HOW CAN CRYSTAL STRUCTURES BE PREDICTED? TUTORIALS PROVIDING ANSWERS TO THESE QUESTIONS ARE THE FOCUS OF THIS BOOK. FROM REVIEWS OF THE SERIES "The series continues to be one of the most useful information sources." -JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Author : David L. Beveridge,William L. Jorgensen
Publisher : Unknown
Page : 328 pages
File Size : 47,7 Mb
Release : 1986
Category : Science
ISBN : STANFORD:36105038214057

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Computer Simulation of Chemical and Biomolecular Systems by David L. Beveridge,William L. Jorgensen Pdf

Author : National Research Council,Division on Earth and Life Studies,Board on Life Sciences,Division on Engineering and Physical Sciences,Board on Physics and Astronomy,Solid State Sciences Committee,Committee on Biomolecular Materials and Processes
Publisher : National Academies Press
Page : 171 pages
File Size : 44,9 Mb
Release : 2008-07-17
Category : Science
ISBN : 9780309117043

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Inspired by Biology by National Research Council,Division on Earth and Life Studies,Board on Life Sciences,Division on Engineering and Physical Sciences,Board on Physics and Astronomy,Solid State Sciences Committee,Committee on Biomolecular Materials and Processes Pdf

Scientists have long desired to create synthetic systems that function with the precision and efficiency of biological systems. Using new techniques, researchers are now uncovering principles that could allow the creation of synthetic materials that can perform tasks as precise as biological systems. To assess the current work and future promise of the biology-materials science intersection, the Department of Energy and the National Science Foundation asked the NRC to identify the most compelling questions and opportunities at this interface, suggest strategies to address them, and consider connections with national priorities such as healthcare and economic growth. This book presents a discussion of principles governing biomaterial design, a description of advanced materials for selected functions such as energy and national security, an assessment of biomolecular materials research tools, and an examination of infrastructure and resources for bridging biological and materials science.

Author : W.F. van Gunsteren,P.K. Weiner,A.J. Wilkinson
Publisher : Springer Science & Business Media
Page : 633 pages
File Size : 48,5 Mb
Release : 2013-11-27
Category : Technology & Engineering
ISBN : 9789401711203

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Computer Simulation of Biomolecular Systems by W.F. van Gunsteren,P.K. Weiner,A.J. Wilkinson Pdf

The third volume in the series on Computer Simulation of Biomolecular Systems continues with the format introduced in the first volume [1] and elaborated in the second volume [2]. The primary emphasis is on the methodological aspects of simulations, although there are some chapters that present the results obtained for specific systems of biological interest. The focus of this volume has changed somewhat since there are several chapters devoted to structure-based ligand design, which had only a single chapter in the second volume. It seems useful to set the stage for this volume by quoting from my preface to Volume 2 [2]. "The long-range 'goal of molecular approaches to biology is to describe living systems in terms of chemistry and physics. Over the last fifty years great progress has been made in applying the equations representing the underlying physical laws to chemical problems involv ing the structures and reactions of small molecules. Corresponding studies of mesoscopic systems have been undertaken much more recently. Molecular dynamics simulations, which are the primary focus of this volume, represent the most important theoretical approach to macromolecules of biological interest." ...

Author : Carlton A. Taft,Sergio R. de Lazaro
Publisher : Springer Nature
Page : 729 pages
File Size : 50,5 Mb
Release : 2022-09-05
Category : Technology & Engineering
ISBN : 9783031076220

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Research Topics in Bioactivity, Environment and Energy by Carlton A. Taft,Sergio R. de Lazaro Pdf

This book covers edge-point applications in science and engineering. The chapters discuss the functional properties of advanced engineering materials and biomolecules, improving the comprehension of their chemical physical properties and potential for new technological and medicinal applications. The book presents a small number of experimental techniques and computational simulation models from basic concepts of classical/quantum mechanics, physics, chemistry, biology, statistical methods that can predict important applications and properties of these materials/biomolecules. The content shows how improving design of new systems helps in addressing future world problems (health, energy, food, environment, transportation, housing, clothing, etc.), i.e., almost every aspects of our daily lives.