Molecular modeling of green fluorescent protein: Structural effects of chromophore deprotonation

Biopolymers

Volumn 75, Issue 6, 2004, Pages 441-452

  Patnaik, Soumya S ^a,b   Trohalaki, Steven ^a,b   Pachter, Ruth ^a  

^a AIR FORCE RESEARCH LABORATORY   (United States)

^b Anteon Corporation   (United States)

Author keywords

CHARMm; Green fluorescent protein; Molecular dynamics; ONIOM; Quantum mechanics molecular mechanics

Indexed keywords

CHROMOPHORES; FLUORESCENCE; HYDROGEN BONDS; ISOMERIZATION; MOLECULAR DYNAMICS; NEGATIVE IONS; PARAMETER ESTIMATION; QUANTUM THEORY; RIGIDITY; TORSIONAL STRESS; X RAY ANALYSIS;

ANIONIC CHROMOPHORES; MOLECULAR MECHANICS; PROTEIN SHELLS;

PROTEINS;

GREEN FLUORESCENT PROTEIN; THREONINE;

ARTICLE; CHROMATOPHORE; CONFORMATIONAL TRANSITION; HYDROGEN BOND; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; MOLECULAR MODEL; PROTEIN DENATURATION; PROTEIN STRUCTURE; PROTON TRANSPORT; QUANTUM MECHANICS; SIMULATION;

COMPUTER SIMULATION; GREEN FLUORESCENT PROTEINS; HYDROGEN BONDING; HYDROGEN-ION CONCENTRATION; ISOMERISM; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PEPTIDES, CYCLIC; PROTEIN CONFORMATION; PROTEIN DENATURATION; PROTEIN STRUCTURE, SECONDARY; PROTONS; QUANTUM THEORY; ROTATION; SPECTROMETRY, FLUORESCENCE; SPECTROPHOTOMETRY; THREONINE; WATER;

EID: 10844242118     PISSN: 00063525     EISSN: None     Source Type: Journal    
DOI: 10.1002/bip.20156     Document Type: Article

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