Bridging the gap between molecular descriptors and mechanism: cases studies by molecular dynamics simulations.
Xu, Liang
Bridging the gap between molecular descriptors and mechanism: cases studies by molecular dynamics simulations. [electronic resource] - Journal of molecular graphics & modelling Apr 2009 - 829-35 p. digital
Publication Type: Journal Article; Research Support, Non-U.S. Gov't
1873-4243
10.1016/j.jmgm.2008.12.007 doi
Cell Membrane--chemistry
Computer Simulation
Hydrogen Bonding
Hydrophobic and Hydrophilic Interactions
Lipid Bilayers
Models, Molecular
Molecular Structure
Narcotics--chemistry
Pentachlorophenol--chemistry
Phenols--chemistry
Phosphatidylcholines--chemistry
Quantitative Structure-Activity Relationship
Reproducibility of Results
Salicylic Acid--chemistry
Uncoupling Agents--chemistry
Bridging the gap between molecular descriptors and mechanism: cases studies by molecular dynamics simulations. [electronic resource] - Journal of molecular graphics & modelling Apr 2009 - 829-35 p. digital
Publication Type: Journal Article; Research Support, Non-U.S. Gov't
1873-4243
10.1016/j.jmgm.2008.12.007 doi
Cell Membrane--chemistry
Computer Simulation
Hydrogen Bonding
Hydrophobic and Hydrophilic Interactions
Lipid Bilayers
Models, Molecular
Molecular Structure
Narcotics--chemistry
Pentachlorophenol--chemistry
Phenols--chemistry
Phosphatidylcholines--chemistry
Quantitative Structure-Activity Relationship
Reproducibility of Results
Salicylic Acid--chemistry
Uncoupling Agents--chemistry