Free Energy Calculations in Biological Systems. How Useful Are They in Practice?

Lecture Notes in Computational Science and Engineering

Volumn 49, Issue , 2006, Pages 185-211

  Chipot, Christophe ^a  

^a NANCY UNIVERSITÉ   (France)

Author keywords

Drug design; Free energy calculations; Molecular dynamics simulations; Protein folding; Protein recognition and association

Indexed keywords

MOLECULAR DYNAMICS; PROTEIN FOLDING; PROTEINS;

DRUG DESIGN; FREE ENERGY PERTURBATION; FREE-ENERGY CALCULATIONS; MOLECULAR DYNAMICS SIMULATIONS; PHARMACOLOGICALLY ACTIVE COMPOUNDS; PROTEIN RECOGNITION; THERMODYNAMIC INTEGRATION; WATER PARTITION COEFFICIENTS;

FREE ENERGY;

EID: 34547521939     PISSN: 14397358     EISSN: None     Source Type: Book Series    
DOI: 10.1007/3-540-31618-3_12     Document Type: Review

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