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Journal of the American Chemical Society

Volumn 123, Issue 36, 2001, Pages 8730-8737

Ab initio molecular dynamics-based assignment of the protonation state of pepstatin A/HIV-1 protease cleavage site

(4) Piana, S a,c Sebastiani, D b,d Carloni, P a Parrinello, M b,e

a INFM (Italy)

b MAX PLANCK INSTITUT FÜR FESTKÖRPERFORSCHUNG (Germany)

c ETH ZURICH (Switzerland)

d MAX PLANCK INSTITUTE FOR POLYMER RESEARCH (Germany)

e Centro Svizzero Di Calcolo Scientifico (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

PROTONATION STATE;

AMINO ACIDS; CARBON; ENZYME INHIBITION; ENZYME KINETICS; ENZYMES; ISOTOPES; NUCLEAR MAGNETIC RESONANCE;

MOLECULAR DYNAMICS;

ASPARTIC PROTEINASE; PEPSTATIN; PROTEINASE;

ARTICLE; CARBON NUCLEAR MAGNETIC RESONANCE; CHEMICAL BOND; DNA CLEAVAGE; ENZYME BINDING; MOLECULAR DYNAMICS; MOLECULAR MODEL; PROTON NUCLEAR MAGNETIC RESONANCE; PROTON TRANSPORT; QUANTUM MECHANICS;

ASPARTIC ACID; CATALYSIS; FORMIC ACIDS; HIV PROTEASE; HYDROGEN BONDING; ISOTOPES; MACROMOLECULAR SUBSTANCES; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, CHEMICAL; PEPSTATINS; PROTEASE INHIBITORS; PROTEIN BINDING; PROTONS;

EID: 0035850539 PISSN: 00027863 EISSN: None Source Type: Journal
DOI: 10.1021/ja003145e Document Type: Article

Times cited : (121)

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