Benchmark calculations of proton affinities and gas-phase basicities of molecules important in the study of biological phosphoryl transfer

Physical Chemistry Chemical Physics

Volumn 7, Issue 16, 2005, Pages 3070-3079

  Range, Kevin ^a   Riccardi, Demian ^b   Cui, Qiang ^b   Elstner, Marcus ^c,d   York, Darrin M ^a  

^a University of Minnesota   (United States)

^b UNIVERSITY OF WISCONSIN MADISON   (United States)

^c UNIVERSITY OF PADERBORN   (Germany)

^d GERMAN CANCER RESEARCH CENTER DKFZ   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

BIOPOLYMER; PHOSPHATE; PROTON; RIBOZYME;

ALGORITHM; ARTICLE; BINDING SITE; BIOLOGICAL MODEL; CHEMICAL MODEL; CHEMISTRY; COMPARATIVE STUDY; COMPUTER PROGRAM; COMPUTER SIMULATION; ENERGY TRANSFER; METABOLISM; PHASE TRANSITION; PHOSPHORYLATION; QUALITY CONTROL; TRANSPORT AT THE CELLULAR LEVEL;

ALGORITHMS; BENCHMARKING; BINDING SITES; BIOLOGICAL TRANSPORT; BIOPOLYMERS; COMPUTER SIMULATION; ENERGY TRANSFER; MODELS, BIOLOGICAL; MODELS, CHEMICAL; PHASE TRANSITION; PHOSPHATES; PHOSPHORYLATION; PROTONS; RNA, CATALYTIC; SOFTWARE; SOFTWARE VALIDATION;

EID: 24044444942     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/b504941e     Document Type: Article

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