%0 Journal Article %1 Mollica2016ScaledMDUnbinding %A Mollica, Luca %A Theret, Isabelle %A Antoine, Mathias %A Perron-Sierra, Francoise %A Charton, Yves %A Fourquez, Jean-Marie %A Wierzbicki, Michel %A Boutin, Jean A. %A Ferry, Gilles %A Decherchi, Sergio %A Bottegoni, Giovanni %A Ducrot, Pierre %A Cavalli, Andrea %D 2016 %J Journal of Medicinal Chemistry %K biased-MD enhanced-sampling kinetics ligand-unbinding ligand-unbinding-simulation rate-calculations scaled-MD scaled-molecular-dynamics unbinding-rate %N 15 %P 7167–7176 %T Molecular Dynamics Simulations and Kinetic Measurements to Estimate and Predict Protein? Ligand Residence Times Luca Mollica? %U http://pubs.acs.org/doi/10.1021/acs.jmedchem.6b00632 %V 59

@article{Mollica2016ScaledMDUnbinding, added-at = {2017-09-21T19:21:18.000+0200}, author = {Mollica, Luca and Theret, Isabelle and Antoine, Mathias and Perron-Sierra, Francoise and Charton, Yves and Fourquez, Jean-Marie and Wierzbicki, Michel and Boutin, Jean A. and Ferry, Gilles and Decherchi, Sergio and Bottegoni, Giovanni and Ducrot, Pierre and Cavalli, Andrea}, biburl = {https://www.bibsonomy.org/bibtex/29fb172ffceaf3c3e9ce7495456bc3623/salotz}, description = {Molecular Dynamics Simulations and Kinetic Measurements to Estimate and Predict Protein–Ligand Residence Times - Journal of Medicinal Chemistry (ACS Publications)}, interhash = {016f1efbe1a2ab525877f2b7d677d6d2}, intrahash = {9fb172ffceaf3c3e9ce7495456bc3623}, journal = {Journal of Medicinal Chemistry}, keywords = {biased-MD enhanced-sampling kinetics ligand-unbinding ligand-unbinding-simulation rate-calculations scaled-MD scaled-molecular-dynamics unbinding-rate}, number = 15, pages = {7167–7176}, timestamp = {2017-10-13T23:47:45.000+0200}, title = {Molecular Dynamics Simulations and Kinetic Measurements to Estimate and Predict Protein? Ligand Residence Times Luca Mollica?}, url = {http://pubs.acs.org/doi/10.1021/acs.jmedchem.6b00632}, volume = 59, year = 2016 }