ICFF: A new method to incorporate implicit flexibility into an internal coordinate force field

Journal of Computational Chemistry

Volumn 24, Issue 2, 2003, Pages 254-265

  Katritch, Vsevolod ^a,c   Totrov, Maxim ^b   Abagyan, Ruben ^a,b  

^a SCRIPPS RESEARCH INSTITUTE   (United States)

^b MOLSOFT LLC   (United States)

^c Plexus Vaccine Inc   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; BENCHMARKING; CHEMICAL BONDS; CONFORMATIONS; CONVERGENCE OF NUMERICAL METHODS; ESTIMATION; MACROMOLECULES; MATHEMATICAL MODELS; MOLECULAR BIOLOGY; TORSION TESTING; VAN DER WAALS FORCES;

CARTESIAN FORCE; COVALENT GEOMETRY; EMPIRICAL TORSION ENERGY; EQUILIBRIUM ENERGY; INTERNAL COORDINATE FORCE FIELD; SCALING FACTOR;

MOLECULAR DYNAMICS;

EID: 0037472825     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.10091     Document Type: Article

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