Essential dynamics of proteins

Proteins: Structure, Function, and Bioinformatics

Volumn 17, Issue 4, 1993, Pages 412-425

  Amadei, Andrea ^a   Linssen, Antonius B M ^a   Berendsen, Herman J C ^a  

^a UNIVERSITY OF GRONINGEN   (Netherlands)

Author keywords

constraint dynamics; lysozyme; molecular dynamics; normal modes

Indexed keywords

LYSOZYME;

AQUEOUS SOLUTION; ARTICLE; CALCULATION; ENZYME ANALYSIS; MATHEMATICAL ANALYSIS; MOLECULAR DYNAMICS; NONHUMAN; PRIORITY JOURNAL;

ANIMAL; CHICKENS; EGG WHITE; MODELS, CHEMICAL; MODELS, THEORETICAL; MURAMIDASE; SUPPORT, NON-U.S. GOV'T;

EID: 0027441950     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.340170408     Document Type: Article

References (16)

1. Collective motions in proteins; a covariance analysis of atomic fluctuations in molecular dynamics and normal modes simulations
2. Projection of Monte Carlo and molecular dynamics trajectories onto the normal mode axes: human lysozyme
3. Harmonic and quasiharmonic descriptions of crambin
4. Motions of an alphahelical peptide: Comparison of molecular and harmonic dynamics
5. Entropy estimation from simulations of non‐diffusive systems
6. Free energy determination of polypeptide conformations generated by molecular dynamics
7. Method for estimating the configurational entropy of macromolecules
8. Numerical integration of the cartesian equations of motion of a system with constraints: Molecular dynamics of n‐alkanes
9. Molecular dynamics with coupling to an external bath
10. Gene duplications in the structural evolution of chymotrypsin
11. Dielectric properties of trypsin inhibitor and lysozyme calculated from molecular dynamics simulations
12. The effects of solvent on the conformation and collective motions of protein: normal mode analysis and molecular dynamics simulations of melittin in water and in vacuum