Drug permeability prediction using PMF method

Journal of Molecular Modeling

Volumn 19, Issue 3, 2013, Pages 991-997

  Meng, Fancui ^a   Xu, Weiren ^a  

^a TIANJIN INSTITUTE OF PHARMACEUTICAL RESEARCH   (China)

Author keywords

DPPC; Molecular dynamics; Permeability; Potential of mean force (PMF)

Indexed keywords

ATENOLOL; DOXORUBICIN; IBUPROFEN;

ARTICLE; BILAYER MEMBRANE; DRUG PENETRATION; HYDRATION; HYDROGEN BOND; MOLECULAR DYNAMICS; PRIORITY JOURNAL; SIMULATION; STRUCTURE ACTIVITY RELATION;

ANTI-INFLAMMATORY AGENTS, NON-STEROIDAL; ANTIBIOTICS, ANTINEOPLASTIC; ANTIHYPERTENSIVE AGENTS; ATENOLOL; CACO-2 CELLS; CELL LINE; CELL MEMBRANE; CELL MEMBRANE PERMEABILITY; DOXORUBICIN; HUMANS; IBUPROFEN; MOLECULAR DYNAMICS SIMULATION; PHARMACEUTICAL PREPARATIONS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; THERMODYNAMICS;

EID: 84877104063     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-012-1655-1     Document Type: Article

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