Protein simulations /

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 simu...

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Bibliographic Details
Call Number:Libro Electrónico
Other Authors: Daggett, Valerie
Format: Electronic eBook
Language:Inglés
Published: Amsterdam ; Boston : Academic Press, �2003.
Series:Advances in protein chemistry ; v. 66.
Subjects:
Proteins > Research.
Proteins > Structure > Computer simulation.
Proteins > chemistry
Computer Simulation
Models, Molecular
Proteins > metabolism
Prot�eines > Recherche.
Prot�eines > Structure > Simulation par ordinateur.
Simulation par ordinateur.
simulation.
SCIENCE > Chemistry > Organic.
Eiwitten.
Simulatie.
Structuur-activiteit-relatie.
Geneesmiddelen.
Online Access:Texto completo
Texto completo
Texto completo
Table of Contents:
  • 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 [and others]
  • 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 [and others]
  • 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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