Molecular dynamics simulations of biomolecules

Accounts of Chemical Research

Volumn 35, Issue 6, 2002, Pages 321-323

  Karplus, Martin ^a  

^a HARVARD UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL STRUCTURE; EDITORIAL; MOLECULAR BIOLOGY; MOLECULAR DYNAMICS; MOLECULAR MODEL; PROTEIN STRUCTURE; QUANTUM MECHANICS; THERMODYNAMICS; X RAY DIFFRACTION; CHEMISTRY; COMPUTER SIMULATION; MOTION;

BIOPOLYMER; PROTEIN;

BIOPOLYMERS; COMPUTER SIMULATION; MODELS, MOLECULAR; MOTION; PROTEINS; THERMODYNAMICS;

EID: 0036285985     PISSN: 00014842     EISSN: None     Source Type: Journal    
DOI: 10.1021/ar020082r     Document Type: Editorial

References (21)

1. Dynamics of folded proteins
2. Crystallographic refinement and the structure of the bovine pancreatic trypsin inhibitor at 1.5 Å resolution
3. Deuterium exchange between peptides and water
4. Hydrogen exchange in proteins
5. Reactions involving hydrogen molecules and atoms
6. 2)
7. Studies in molecular dynamics. 1. General method
8. Correlations in motion of atoms in liquid argon
9. Improved simulation of liquid water by molecular-dynamics
10. A model for the simulation of an aqueous dipeptide solution
11. Calculations of the conformations of small molecules
12. Consistent force field for calculations of conformations vibrational spectra and enthalpies of cycloalkanes and n-alkane molecules
13. Dynamic activation of protein function: A view emerging from NMR spectroscopy
14. Water permeation across biological membranes: Mechanism and dynamics of aquaporin-1 and GIpF
15. Molecular dynamics simulation of the kinetics of spontaneous micelle formation
16. Molecular dynamics simulations of octyl glucoside micelles: Dynamic properties
17. Weak temperature dependence of the free energy surface and folding pathways of structured peptides
18. Localized unfolding of collagen explains collagenase cleavage near imino-poor sites