Molecular Docking Using the Molecular Lipophilicity Potential as Hydrophobic Descriptor: Impact on GOLD Docking Performance

2012 ◽  
Vol 52 (5) ◽  
pp. 1319-1327 ◽  
Author(s):  
Alessandra Nurisso ◽  
Juan Bravo ◽  
Pierre-Alain Carrupt ◽  
Antoine Daina
Keyword(s):  
Molecular Docking ◽  
Lipophilicity Potential ◽  
Molecular Lipophilicity Potential

The conformation-dependent lipophilicity of morphine glucuronides as calculated from their molecular lipophilicity potential

1994 ◽  
Vol 4 (5) ◽  
pp. 737-742 ◽  
Author(s):  
Patrick Gaillard ◽  
Carrupt Pierre-Alain ◽  
Bernand Testa
Keyword(s):  
Lipophilicity Potential ◽  
Molecular Lipophilicity Potential

ChemInform Abstract: Synthesis and Molecular Lipophilicity Potential Profiles of 1-((3- Methylphenyl)piperazin-1-yl)-3-(thio(4-acetamido)phenyl)propane: A Potential Hypotensive Agent.

ChemInform ◽  
2010 ◽  
Vol 22 (45) ◽  
pp. no-no
Author(s):  
J. RAO ◽  
R. C. SRIMAL ◽  
E. AUDRY ◽  
A. CARPY ◽  
A. K. SAXENA
Keyword(s):  
Hypotensive Agent ◽  
Lipophilicity Potential ◽  
Molecular Lipophilicity Potential

Heuristic molecular lipophilicity potential (HMLP): Lipophilicity and hydrophilicity of amino acid side chains

2006 ◽  
Vol 27 (6) ◽  
pp. 685-692 ◽  
Author(s):  
Qi-Shi Du ◽  
Da-Peng Li ◽  
Wen-Zhang He ◽  
Kuo-Chen Chou
Keyword(s):  
Amino Acid ◽  
Side Chains ◽  
Amino Acid Side Chains ◽  
Lipophilicity Potential ◽  
Molecular Lipophilicity Potential

Use of molecular lipophilicity potential for the prediction of log P

1994 ◽  
Vol 12 (1) ◽  
pp. 73 ◽  
Author(s):  
P. Gaillard ◽  
P.-A. Carrupt ◽  
B. Testa
Keyword(s):  
Log P ◽  
Lipophilicity Potential ◽  
Molecular Lipophilicity Potential

A pharmacophore for high affinity PAF antagonists II. Hydrophobicity study using the molecular lipophilicity potential

1997 ◽  
Vol 16 (2) ◽  
pp. 75-113 ◽  
Author(s):  
HervéLe Solleu ◽  
Michel Laguerre ◽  
Michel Saux ◽  
Jean-Pierre Dubost
Keyword(s):  
High Affinity ◽  
Paf Antagonists ◽  
Lipophilicity Potential ◽  
Molecular Lipophilicity Potential

Molecular Lipophilicity Potential, a tool in 3D QSAR: Method and applications

1994 ◽  
Vol 8 (2) ◽  
pp. 83-96 ◽  
Author(s):  
Patrick Gaillard ◽  
Pierre-Alain Carrupt ◽  
Bernard Testa ◽  
Alain Boudon
Keyword(s):  
3D Qsar ◽  
Lipophilicity Potential ◽  
Molecular Lipophilicity Potential

Molecular lipophilicity potential as a tool in 3D QSAR: Method development and applications

1993 ◽  
pp. 511-512
Author(s):  
Patric Gaillard ◽  
Pierre-Alain Carrupt ◽  
Bernard Testa ◽  
Alain Boundon
Keyword(s):  
Method Development ◽  
3D Qsar ◽  
Lipophilicity Potential ◽  
Molecular Lipophilicity Potential

scholarly journals MLP Tools: a PyMOL plugin for using the molecular lipophilicity potential in computer-aided drug design

2014 ◽  
Vol 28 (5) ◽  
pp. 587-596 ◽  
Author(s):  
Nils Oberhauser ◽  
Alessandra Nurisso ◽  
Pierre-Alain Carrupt
Keyword(s):  
Drug Design ◽  
Computer Aided Drug Design ◽  
Computer Aided ◽  
Lipophilicity Potential ◽  
Pymol Plugin ◽  
Molecular Lipophilicity Potential
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