000			01219nam a2200181Ia 4500
008			140223b2001 xxu||||| |||| 00| 0 eng d
020			_a9780582382107 _c0.00
082			_a541.220113 _bLEA
100			_aLeach, Andrew R. _9106252
245			_aMolecular Modeling: Principles and Applications
250			_a2nd ed
260			_aNew York _bPrentice Hall _c2001
300			_a744p
500			_aUseful 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
600			_aMolecular Modeling _917308
942			_2ddc _cLB _k541.220113 _mLEA
995			_aPharmacy Lending _eP00670 _j541.220113 _yP00670
999			_c13345 _d13345