TY  - BOOK
AU  - Leach, Andrew R.
TI  - Molecular Modeling: Principles and Applications
SN  - 9780582382107
U1  - 541.220113 
PY  - 2001///
CY  - New York
PB  - Prentice Hall
KW  - Molecular Modeling
N1  - Useful Concepts in Molecular Modelling An Introuction to Computational Quantum Mechanics Advanced ab initio Methods, Density Functional Therory & Solid-State Quantum Mechanics Empirical Force Field Models: Molecular Mechanics Energy Minimisation & Related Methods for Exploring the Energy Surface Computer Simulation Methods Molecular Dynamics Simulation Methods Monte Carlo Simulation Methods Conformational Analysis Protein Structure Prediction, Sequence Analysis & Protein Floding Four Challenges in Molecular Modelling: Free Energiews, Solvation, Reactions & Solid-state Defects The Use of Molecular Modelling & Chemoinformatics to Discover & Design new Molecular
ER  -