Calculating structures and free energies of complex molecules: Combining molecular mechanics and continuum models

Accounts of Chemical Research

Volumn 33, Issue 12, 2000, Pages 889-897

  Kollman, P A ^a   Massova, I ^a,d   Reyes, C ^a   Kuhn, B ^a   Huo, S ^a   Chong, L ^a   Lee, M ^a   Lee, T ^a,e   Duan, Y ^a,f   Wang, W ^a   Donini, O ^a,g   Cieplak, P ^a,h   Srinivasan, J ^a,i   Case, D A ^b   Cheatham III , T E ^c  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b SCRIPPS RESEARCH INSTITUTE   (United States)

^c UNIVERSITY OF UTAH   (United States)

^d ROCHE BIOSCIENCE   (United States)

^e ACCELRYS INC   (United States)

^f UNIVERSITY OF DELAWARE   (United States)

^g Kinetek Pharmaceuticals Inc   (Canada)

^h UNIVERSITY OF WARSAW   (Poland)

ⁱ Combichem ^*  (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DNA; LIGAND; NUCLEIC ACID; PROTEIN; RNA;

ACCURACY; ARTICLE; CHEMICAL STRUCTURE; FORCE; MACROMOLECULE; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; NUCLEOTIDE SEQUENCE; PROTEIN NUCLEIC ACID INTERACTION; PROTEIN PROTEIN INTERACTION; REACTION ANALYSIS; SOLVATION; STRUCTURE ANALYSIS; THERMODYNAMICS;

BASE SEQUENCE; DNA; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PROTEINS; RNA; THERMODYNAMICS;

EID: 0034521981     PISSN: 00014842     EISSN: None     Source Type: Journal    
DOI: 10.1021/ar000033j     Document Type: Article

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