Modelling of molecular structures and properties : proceedings of the 44th International Meeting of Physical Chemistry on modeling of molecular structures and properties in physical chemistry and biophysics
著者
書誌事項
Modelling of molecular structures and properties : proceedings of the 44th International Meeting of Physical Chemistry on modeling of molecular structures and properties in physical chemistry and biophysics
（Studies in physical and theoretical chemistry, 71）
Elsevier, 1990
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注記
Includes bibliographical references
内容説明・目次
内容説明
The constant progress in computing techniques and supercomputers is now enhanced by very rapid advances in molecular graphics, which gives a fresh impetus to molecular modelling. The regular and fast expansion of knowledge is manifest in both applied and theoretical fields and in all aspects of chemistry. These proceedings present a complete assessment of the most recent advances in modelling of molecular structures and properties and supplies a rich sampling of the present resources of molecular modelling in practically all domains of chemistry and biophysics. A large number of reviews by eminent specialists are included, complete with a wealth of fresh results stemming from advances in molecular graphics and computational techniques. A number of surveys deal with the main biophysical improvements or breakthroughs, e.g. molecular dynamics as applied to biomolecular properties, modelling, simulation of protein structures and properties, and protein-DNA interactions.
目次
Contents. I. Theoretical advances and basic methodology. II. Molecular modelling in chemistry. Catalysis and adsorption. Conventional methods. Conventional methods applied to biological model systems. Applications to pharmacology. Quantum models. Spectra. Kinetics. III. Molecular modelling in biophysics. Methods. Proteins, polypeptides. DNA. IV. Modelling-NMR joint study of biomolecules. V. Computational Science. Artificial intelligence. Molecular graphics. Computer architecture.
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