Protein simulations
著者
書誌事項
Protein simulations
(Advances in protein chemistry / edited by M.L. Anson, John T. Edsall, Kenneth Bailey, v. 66)
Elsevier, Academic Press, c2003
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注記
Includes bibliographical references and indexes
内容説明・目次
内容説明
Protein Simulation focuses on predicting how protein will act in vivo. These studies use computer analysis, computer modeling, and statistical probability to predict protein function.
目次
Assessment of the Role of Computations in Structural Biology
Force Fields for Protein Simulations
Protein Fields for Protein Simulations
Protein Simulation and Drug Design
Free Energy Calculations and Ligand Binding
Membrane Protein Simulations
Large Scale Simulations of Protein Mechanics and Function
Structure/Function Correlations of Enzymes using MM
QM/MM and Related Approaches
Catalysis and Specificity in Enzymes
All-atom simulations of protein folding and unfolding
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