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Molecular biology --- Molecular dynamics. --- Biomolecules - Structure.
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Written by experienced experts in the field, this book describes the basics to the extent necessary for reliably judging the results from molecular modeling calculations. Without unnecessary overhead, it leads readers from simple calculations on small molecules to the modeling of proteins and other relevant biomolecules. Beginners are guided through their first modeling experiment, while routine users of modeling software are provided with invaluable troubleshooting hints. A unique resource for students, researchers and lecturers, now available in this all-new, enlarged edition. "If the currently popular 'Dummies' series of computer books were to publish a volume on molecular modeling this would be it" (Journal of the American Chemical Society) "The book is well written and assumes no prior knowledge of molecular biology, statistical mechanics, or quantum chemistry. The authors provide practical hints for the application of the majority of available programs in computational chemistry" (Computers in Physics)
Biomolecules --- Proteins --- Molecules --- Drugs --- Ligand binding (Biochemistry) --- Structure --- Computer simulation --- Models --- Design --- fysicochemie --- Stereochemistry --- Computer simulation. --- Biomolecules - Structure - Computer simulation --- Proteins - Structure - Computer simulation --- Molecules - Models - Computer simulation --- Drugs - Design - Computer simulation --- Ligand binding (Biochemistry) - Computer simulation
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Synthesizing over thirty years of advances into a comprehensive textbook, Biomolecular Crystallography describes the fundamentals, practices, and applications of protein crystallography. Deftly illustrated in full-color by the author, the text describes mathematical and physical concepts in accessible and accurate language. It distills key concepts for understanding the practice and analysis of protein crystal structures and contains examples of biologically-relevant molecules, complexes, and drug target structures.Biomolecular Crystallography will be a valuable resource for advanced undergraduate and graduate students and practitioners in structural biology, crystallography, and structural bioinformatics.
fysicochemie --- Molecular biology --- Macromolecules --- Chemical and physical cristallography --- Biomolecules --- Proteins --- Structure --- X-ray crystallography. --- Radiocristallographie --- Macromolécules --- Biomolécules --- Protéines --- Structure. --- Crystallography --- Protein Conformation. --- Models, Molecular. --- Data Collection. --- methods. --- Radiocristallographie. --- Chemical and physical crystallography --- Macromolecules - Structure --- Biomolecules - Structure --- Proteins - Structure --- Macromolécules --- Biomolécules --- Protéines
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Rocks. Minerals --- General biochemistry --- Chemical and physical cristallography --- X-ray crystallography --- Crystallography --- Biomolecules --- Radiocristallographie --- Cristallographie --- Biomolécules --- Periodicals --- Structure --- Périodiques --- Periodicals. --- Crystallography. --- X-ray crystallography. --- Structure. --- #TS:WBIB --- Chemistry --- Health Sciences --- Biochemistry --- Physiology --- Moleculaire biologie. --- Kristallografie. --- biochemie --- Journal --- Chemical and physical crystallography --- X-ray crystallography - Periodicals --- Crystallography - Periodicals --- Biomolecules - Structure - Periodicals
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Biomolecular Structure and Dynamics describes recent fundamental advances in the experimental and theoretical study of molecular dynamics and stochastic dynamic simulations, X-ray crystallography and NMR of biomolecules, the structure of proteins and its prediction, time resolved Fourier transform IR spectroscopy of biomolecules, the computation of free energy, applications of vibrational CD of nucleic acids, and solid state NMR. Further presentations include recent advances in UV resonance Raman spectroscopy of biomolecules, semiempirical MO methods, empirical force fields, quantitative studies of the structure of proteins in water by Fourier transform IR, and density functional theory. Metal-ligand interactions, DFT treatment of organometallic and biological systems, and simulation vs. X-ray and far IR experiments are also discussed in some detail. The book provides a broad perspective of the current theoretical aspects and recent experimental findings in the field of biomolecular dynamics, revealing future research trends, especially in areas where theoreticians and experimentalists could fruitfully collaborate.
Molecular dynamics --- Biomolecules --- Congresses. --- Structure --- Congresses --- Biophysics. --- Biological physics. --- Chemoinformatics. --- Physical chemistry. --- Biological and Medical Physics, Biophysics. --- Computer Applications in Chemistry. --- Physical Chemistry. --- Chemistry, Theoretical --- Physical chemistry --- Theoretical chemistry --- Chemistry --- Chemical informatics --- Chemiinformatics --- Chemoinformatics --- Chemistry informatics --- Information science --- Computational chemistry --- Biological physics --- Biology --- Medical sciences --- Physics --- Data processing --- Biological molecules --- Molecules --- Molecular biology --- Molecular dynamics - Congresses. --- Biomolecules - Structure - Congresses.
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Biomolecules --- Proteins --- Molecules --- Drugs --- Biomolécules --- Protéines --- Molécules --- Médicaments --- Structure --- Computer simulation --- Models --- Design --- Simulation par ordinateur --- Modèles --- Conception --- Ligand binding (Biochemistry) --- Biomolecules - Structure - Computer simulation --- Proteins - Structure - Computer simulation --- Molecules - Models - Computer simulation --- Drugs - Design - Computer simulation --- Ligand binding (Biochemistry) - Computer simulation
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Structural Biology Using Electrons and X-rays is the perfect book to provide advanced undergraduates or graduate students with an accessible introduction to the two major diffraction-based techniques of structural biology. While concentrating on electron cryo-microscopy with image analysis, it also includes X-ray crystallography in a coherent survey of fundamental principles. Starting with Fourier transforms and progressing through optics and imaging principles, symmetry and three-dimensional reconstruction theory, Structural Biology Using Electrons and X-rays ends in an accou
Biology. --- Biomolecules - Structure. --- Biomolecules --Structure. --- Diffraction. --- Electron optics. --- Electron probe microanalysis. --- Electrons. --- X-ray spectroscopy. --- X-rays. --- Biomolecules --- X-ray spectroscopy --- Electron optics --- Electron probe microanalysis --- Genetics --- Signal Processing, Computer-Assisted --- Mathematical Concepts --- Investigative Techniques --- Biochemistry --- Spectrum Analysis --- Chemistry --- Analytical, Diagnostic and Therapeutic Techniques and Equipment --- Biological Science Disciplines --- Computing Methodologies --- Biology --- Chemistry Techniques, Analytical --- Phenomena and Processes --- Magnetic Resonance Spectroscopy --- Fourier Analysis --- Molecular Biology --- Natural Science Disciplines --- Information Science --- Disciplines and Occupations --- Human Anatomy & Physiology --- Engineering & Applied Sciences --- Health & Biological Sciences --- Animal Biochemistry --- Biophysics --- Applied Physics --- Structure --- Fourier transform optics. --- Fourier transform nuclear magnetic resonance spectroscopy. --- Structure. --- Analysis. --- Mathematical models. --- FT-NMR spectroscopy --- Fourier transform spectroscopy --- Nuclear magnetic resonance spectroscopy --- Fourier optics --- Fourier transformations --- Optics --- Biological molecules --- Molecules --- Molecular biology
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