Free energy screening of small ligands binding to an artificial protein cavity

Journal of Chemical Physics

Volumn 113, Issue 8, 2000, Pages 3423-3433

  Banba, Shinichi ^a,b   Brooks III, Charles L ^a  

^a SCRIPPS RESEARCH INSTITUTE   (United States)

^b MITSUI CHEMICALS INC   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; ATOMS; CHEMICAL BONDS; COMPUTER SIMULATION; DERIVATIVES; ENTROPY; ERRORS; FREE ENERGY; MOLECULAR STRUCTURE; PERTURBATION TECHNIQUES; POTENTIAL ENERGY; PROTEINS;

ARTIFICIAL PROTEIN CAVITY; LIGANDS; RESTRAINING POTENTIAL;

MOLECULAR DYNAMICS;

EID: 0034702638     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1287147     Document Type: Article

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