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Computer Modelling and Structural Databases in Pharmaceutical Research
Theoretical Studies of GrooveBinding Drugs with
Physical Chemistry Protein Structure and Molecular Design
9 other sections not shown
5-HT receptor active adsorption algorithm amino acid antigenic approach binding Biol bond lengths calculations catalysts Chem chemical chemistry complex conformation constraints coordinates crystal structure crystallographic database defect deformation derived determinants developed display distance geometry drug dynamical simulated annealing electron enzyme equation example experimental Figure flexibility force constant force field free energy function grid groups hydrogen bond inhibitor insulin interaction ions kcal kcal mol"1 ligands macromolecules methods minimization molecular dynamics molecular graphics molecular mechanics molecular modelling molecular structure molecules nuclear magnetic resonance nucleic acid optimization parameters peptides pharmacophore photographic section Phys position prediction problem procedure properties protein structure proton proton transfer quantum receptor recognition representation residues ring secondary structure sequence side-chain simulated annealing steric studies surface Table target techniques temperature templates three-dimensional structure torsion angles transputer values vectors Waals Weinstein H zeolite