Hydrogen tunneling in an enzyme active site: A quantum wavepacket dynamical perspective

Journal of Physical Chemistry B

Volumn 112, Issue 25, 2008, Pages 7601-7613

  Iyengar, Srinivasan S ^a   Sumner, Isaiah ^a   Jakowski, Jacek ^a  

^a INDIANA UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; DEUTERIUM; ENZYMES; FUNCTIONS; HYDROGEN; PROBABILITY DENSITY FUNCTION; PROTONS; THREE DIMENSIONAL; TRANSFER FUNCTIONS; TUNNELING (EXCAVATION); WAVE FUNCTIONS; WAVE PACKETS;

ACTIVE SITES; ADIABATS; AVOIDED CROSSINGS; DONOR ACCEPTORS; EIGEN STATES; HYBRID DENSITY FUNCTIONAL THEORY; KINETIC ISOTOPE EFFECT; MODEL SYSTEMS; NUCLEAR ORBITALS; POPULATION TRANSFER; POTENTIAL SURFACES; QUANTUM DYNAMICAL; REACTION COORDINATE; SOYBEAN LIPOXYGENASE; TRANSMISSION AMPLITUDE; TUNNELING PROCESSES; WAVE-PACKET DYNAMICS;

PROTON TRANSFER;

ENZYME; HYDROGEN;

ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; DEUTERIUM HYDROGEN EXCHANGE; METABOLISM; OXIDATION REDUCTION REACTION; QUANTUM THEORY; SURFACE PROPERTY;

BINDING SITES; COMPUTER SIMULATION; DEUTERIUM EXCHANGE MEASUREMENT; ENZYMES; HYDROGEN; MODELS, MOLECULAR; MOLECULAR STRUCTURE; OXIDATION-REDUCTION; QUANTUM THEORY; SURFACE PROPERTIES;

EID: 48149093014     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp7103215     Document Type: Article

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