Ligand uptake modulation by internal water molecules and hydrophobic cavities in hemoglobins

Journal of Physical Chemistry B

Volumn 118, Issue 5, 2014, Pages 1234-1245

  Bustamante, Juan P ^a   Abbruzzetti, Stefania ^b   Marcelli, Agnese ^c   Gauto, Diego ^a   Boechi, Leonardo ^d   Bonamore, Alessandra ^e   Boffi, Alberto ^e   Bruno, Stefano ^b   Feis, Alessandro ^f   Foggi, Paolo ^g,h   Estrin, Dario A ^a   Viappiani, Cristiano ^b  

^a UNIVERSIDAD DE BUENOS AIRES   (Argentina)

^b UNIVERSITY OF PARMA   (Italy)

^c UNIVERSITY OF FLORENCE   (Italy)

^d INSTITUTO DE CÁLCULO   (Argentina)

^e SAPIENZA UNIVERSITY OF ROME   (Italy)

^f UNIVERSITY OF FLORENCE   (Italy)

^g UNIVERSITY OF PERUGIA   (Italy)

^h ISTITUTO NAZIONALE DI OTTICA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL STUDIES; ENERGETIC BARRIERS; EXOGENOUS LIGANDS; HYDROPHOBIC CAVITIES; MOLECULAR DYNAMICS SIMULATIONS; POSITIONAL DISORDER; THERMOBIFIDA FUSCA; TRUNCATED HEMOGLOBINS;

HEMOGLOBIN; HYDROPHOBICITY; MOLECULAR DYNAMICS; MOLECULES; PORPHYRINS; X RAY CRYSTALLOGRAPHY;

LIGANDS;

CARBON MONOXIDE; HEMOGLOBIN; LIGAND; TRUNCATED HEMOGLOBIN; WATER;

ARTICLE; CHEMICAL PHENOMENA; CHEMISTRY; KINETICS; METABOLISM; PROTEIN BINDING; PROTEIN TERTIARY STRUCTURE; THERMODYNAMICS;

CARBON MONOXIDE; HEMOGLOBINS; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; KINETICS; LIGANDS; PROTEIN BINDING; PROTEIN STRUCTURE, TERTIARY; THERMODYNAMICS; TRUNCATED HEMOGLOBINS; WATER;

EID: 84893831206     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp410724z     Document Type: Article

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