Protein simulations / edited by Valerie Daggett.
Series: Advances in protein chemistry ; v. 66.©2003Description: 1 online resource (x, 449 pages, [17] pages of plates) : illustrations (some color)Content type:- text
- computer
- online resource
- 9780080493787
- 0080493785
- 0120342669
- 9780120342662
- 1281010707
- 9781281010704
- Proteins -- Research
- Proteins -- Structure -- Computer simulation
- Protéines -- Recherche
- Protéines -- Structure -- Simulation par ordinateur
- SCIENCE -- Chemistry -- Organic
- Proteins -- Research
- Proteins -- Structure -- Computer simulation
- Eiwitten
- Simulatie
- Structuur-activiteit-relatie
- Geneesmiddelen
- Proteins -- chemistry
- Computer Simulation
- Models, Molecular
- Proteins -- metabolism
- QD431 .A3eb vol. 66
- QU 55
eBooks
Includes bibliographical references and index.
Print version record.
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. * Force Fields * Ligand Binding * Protein Membrane Simulation * Enzyme Dynamics * Protein Folding and unfolding simulations.
Assessment of the role of computations in structural biology / Irwin D. Kuntz, David A. Agard -- Force fields for protein simulations / Jay W. Ponder, David A. Case -- Protein simulation and drug design / Chung F. Wong, J. Andrew McCammon -- Free energy calculations and ligand binding / Bjorn O. Brandsdal ... [et al.] -- Membrane protein simulations: ion channels and bacterial outer membrane proteins / Carmen Domene, Peter J. Bond, Mark S. P. Sansom -- Large scale simulation of protein mechanics and function / Emad Tajkhorshid ... [et al.] -- Structure/function correlations of proteins using MM, QM/MM and related approaches: methods, concepts, pitfalls, and current progress / A. Shurki, A. Warshel -- Catalysis and specificity in enzymes: a study of triosephosphate isomerase and comparison with methyl glyoxal synthase / Qiang Cui, Martin Karplus -- All-atom simulations of protein folding and unfolding / Ryan Day, Valerie Daggett.
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