PDB2PQR: Expanding and upgrading automated preparation of biomolecular structures for molecular simulations

Nucleic Acids Research

Volumn 35, Issue SUPPL.2, 2007, Pages

  Dolinsky, Todd J ^a   Czodrowski, Paul ^b   Li, Hui ^c   Nielsen, Jens E ^d   Jensen, Jan H ^e   Klebe, Gerhard ^b   Baker, Nathan A ^a  

^a WASHINGTON UNIVERSITY SCHOOL OF MEDICINE   (United States)

^b PHILIPPS UNIVERSITY MARBURG   (Germany)

^c UNIVERSITY OF NEBRASKA LINCOLN   (United States)

^d UNIVERSITY COLLEGE DUBLIN   (Ireland)

^e UNIVERSITY OF COPENHAGEN   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

HYDROGEN; LIGAND; PROTEIN; SOLVENT;

ARTICLE; BIOLOGY; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER LANGUAGE; COMPUTER PROGRAM; COMPUTER SIMULATION; CONFORMATION; ELECTRICITY; HYDROGEN BOND; INTERNET; MATHEMATICAL COMPUTING; METHODOLOGY; PROTEIN DATABASE;

COMPUTATIONAL BIOLOGY; COMPUTER SIMULATION; DATABASES, PROTEIN; ELECTROSTATICS; HYDROGEN; HYDROGEN BONDING; INTERNET; LIGANDS; MATHEMATICAL COMPUTING; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; PROGRAMMING LANGUAGES; PROTEINS; SOFTWARE; SOLVENTS;

EID: 34547559704     PISSN: 03051048     EISSN: 13624962     Source Type: Journal    
DOI: 10.1093/nar/gkm276     Document Type: Article

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