Analysis of SM8 and Zap TK calculations and their geometric sensitivity

Journal of Computer-Aided Molecular Design

Volumn 24, Issue 4, 2010, Pages 335-342

  Ellingson, Benjamin A ^a   Skillman, A Geoffrey ^a   Nicholls, Anthony ^a  

^a OpenEye Scientific Software Inc   (United States)

Author keywords

CM4M; M06; M06 2X; OMEGA; QUACPAC; SAMPL; SM8; Solvation; SZYBKI; Zap

Indexed keywords

GEOMETRY;

CM4M; M06; M06-2X; OMEGA; QUACPAC; SAMPL; SM8; SOLVATION ENERGY; SZYBKI; ZAP;

SOLVATION;

AQUEOUS SOLUTION; ARTICLE; CHEMICAL ANALYSIS; CONFORMATION; ENERGY TRANSFER; GEOMETRY; MATHEMATICAL COMPUTING; MATHEMATICAL MODEL; PRIORITY JOURNAL; PROCESS OPTIMIZATION; PROSPECTIVE STUDY; SENSITIVITY ANALYSIS; SOLVATION;

EID: 77953326884     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-010-9355-3     Document Type: Article

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