Interfaces and hydrophobic interactions in receptor-ligand systems: A level-set variational implicit solvent approach

Journal of Chemical Physics

Volumn 131, Issue 14, 2009, Pages

  Cheng, Li Tien ^a   Wang, Zhongming ^a   Setny, Piotr ^a,b   Dzubiella, Joachim ^c   Li, Bo ^a   McCammon, J Andrew ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b UNIVERSITY OF WARSAW   (Poland)

^c TECHNICAL UNIVERSITY OF MUNICH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ALL-ATOM SIMULATIONS; AQUEOUS SOLUTIONS; BIO-MOLECULAR; CAPILLARY EFFECTS; CONFINED SYSTEMS; CURVATURE CORRECTION; DRY AND WET; ENERGETIC ASPECT; ENERGY FUNCTIONALS; HYDRATION BEHAVIORS; HYDRATION EFFECTS; HYDROPHOBIC INTERACTIONS; IMPLICIT SOLVENT MODEL; IMPLICIT SOLVENTS; LEVEL SETS; LOCAL DISPERSION; META-STABLE STATE; NANO SCALE; QUANTITATIVE DESCRIPTION; RECEPTOR LIGANDS; RECEPTOR-LIGAND BINDING;

ATOMS; DISPERSIONS; HYDRATION; HYDROPHOBICITY; SIMULATORS; SOLVENTS;

LIGANDS;

LIGAND; METHANE; PARAFFIN; SOLVENT; WATER;

ARTICLE; CHEMISTRY; HYDROPHOBICITY; MOLECULAR DYNAMICS; THERMODYNAMICS;

HYDROPHOBICITY; LIGANDS; METHANE; MOLECULAR DYNAMICS SIMULATION; PARAFFIN; SOLVENTS; THERMODYNAMICS; WATER;

EID: 70350482625     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3242274     Document Type: Article

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