<i>Proteins: A Theoretical Perspective of Dynamics, Structure and Thermodynamics</i>

1990/02/01 by Charles L. Brooks, C. L. Brooks, M. Karplus +3 · 5 citations
Biochemistry, Genetics and Molecular Biology · Physics and Astronomy · Materials Science · #Protein Structure and Dynamics #Origins and Evolution of Life #Enzyme Structure and Function

paper · doi:10.1063/1.2810459

Abstract

Potential Functions. Dynamical Simulation Methods. Thermodynamic Methods. Atom and Sidechain Motions. Rigid-Body Motions. Larger-Scale Motions. Solvent Influence on Protein Dynamics. Thermodynamic Aspects. Experimental Comparisons and Analysis. Concluding Discussion. References. Index.

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• A combined quantum mechanical and molecular mechanical potential for molecular dynamics simulations

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