About this book
Molecular dynamics is an important technique with applications in many areas including those of drug design, protein engineering, macromolecular structure determination and molecular recognition. This book concentrates on these exciting applications while summarizing briefly the essential mathematical background. Results are presented on protein, carbohydrate and nucleotide modelling and dynamics using the standard molecular dynamics and related algorithms. There are also chapters covering two relatively new applications namely the simulated annealing protocol which has revolutionized macromolecular structure determination from both nmr spectroscopy and x-ray crystallography and the free energy perturbation method with its direct applications relevant to the design of drugs and mutant proteins.
biology drug design Hydra molecular biology nucleic acid Nucleotide protein protein engineering proteins RNA spectroscopy