Reviews in Computational Chemistry, Volume 17Kenny B. Lipkowitz, Donald B. Boyd Computational chemistry is increasingly used in most areas of molecular science including organic, inorganic, medicinal, biological, physical, and analytical chemistry. Researchers in these fields who do molecular modelling need to understand and stay current with recent developments. This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Two chapters focus on molecular docking, one of which relates to drug discovery and cheminformatics and the other to proteomics. In addition, this volume contains tutorials on spin-orbit coupling and cellular automata modeling, as well as an extensive bibliography of computational chemistry books. FROM REVIEWS OF THE SERIES "Reviews in Computational Chemistry remains the most valuable reference to methods and techniques in computational chemistry."—JOURNAL OF MOLECULAR GRAPHICS AND MODELLING "One cannot generally do better than to try to find an appropriate article in the highly successful Reviews in Computational Chemistry. The basic philosophy of the editors seems to be to help the authors produce chapters that are complete, accurate, clear, and accessible to experimentalists (in particular) and other nonspecialists (in general)."—JOURNAL OF THE AMERICAN CHEMICAL SOCIETY |
Contents
| 1 | |
2 ProteinProtein Docking | 61 |
3 SpinOrbit Coupling in Molecules | 99 |
4 Cellular Automata Models of Aqueous Solution Systems | 205 |
Appendix Books Published on the Topics of Computational Chemistry | 255 |
| 359 | |
| 389 | |
Other editions - View all
Reviews in Computational Chemistry, Volume 17 Kenny B. Lipkowitz,Donald B. Boyd No preview available - 2001 |
Reviews in Computational Chemistry, Volume 17 Kenny B. Lipkowitz,Donald B. Boyd No preview available - 2003 |
Common terms and phrases
Academic Press Advances in Quantum algorithm American Chemical Society Amsterdam angular momentum Applications approach atoms Berlin Bernard Pullman binding affinities binding modes Biol Biology Calculations cells cellular automata Cellular Automata Model compounds Comput.-Aided Mol Computational Chemistry Computer Simulation Conference configurations conformations database Density Functional Theory Dordrecht Drug Design effect electrostatic Elsevier Figure Flexible FlexX force field Free Energy grid Hamiltonian hydrogen bonds Initio interaction International Symposium held Kluwer ligand magnetic matrix elements Methods Molecular Docking Molecular Dynamics Molecular Modeling molecules Moscow Netherlands orbitals Oxford parameters Per-Olov Lo¨wdin perturbation Phys Physics Plenum potential Proceedings protein–ligand complexes protein–protein Quantum Chem Quantum Chemistry Quantum Mechanics quantum number Quantum Theory receptor Relativistic Reviews in Computational rotation Sabin Science scoring function solute solvation spin spin–orbit coupling Springer Struct Studies symmetry Symp Table Techniques tion Tokyo transition triplet virtual screening wave functions Wiley World Scientific York Zerner