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Chemical Biology & Drug Design|December 21, 2012
Accounting for receptor flexibility and enhanced sampling methods in computer-aided drug designWilliam Sinko, Steffen Lindert, J Andrew McCammonProceedings of the National Academy of Sciences of the United States of America|June 15, 2026
ModBind<sub>dG</sub>: A simulation-based absolute predictor of free energy of binding based on population reweightingWilliam Sinko, Blake Mertz, Yoh Terada, et al.Biophysical Chemistry|December 17, 2013
Exploring the role of receptor flexibility in structure-based drug discoveryFerran Feixas, Steffen Lindert, William Sinko, et al.Journal of Medicinal Chemistry|September 15, 2010
Discovery of small molecule inhibitors of the PH domain leucine-rich repeat protein phosphatase (PHLPP) by chemical and virtual screeningEmma Sierecki, William Sinko, J Andrew McCammon, et al.The Journal of Physical Chemistry. B|June 1, 2013
Population based reweighting of scaled molecular dynamicsWilliam Sinko, Yinglong Miao, César Augusto F de Oliveira, et al.Methods in Molecular Biology (Clifton, N.J.)|December 21, 2011
Guide to virtual screening: application to the Akt phosphatase PHLPPWilliam Sinko, Emma Sierecki, César A F de Oliveira, et al.Neurobiology of Aging|September 29, 2009
The wake-promoting effects of hypocretin-1 are attenuated in old ratsStephen R Morairty, Jonathan Wisor, Kristy Silveira, et al.Journal of Chemical Information and Modeling|December 16, 2024
ModBind, a Rapid Simulation-Based Predictor of Ligand Binding and Off-RatesWilliam Sinko, Blake Mertz, Takafumi Shimizu, et al.Journal of Chemical Theory and Computation|January 14, 2012
Protecting High Energy Barriers: A New Equation to Regulate Boost Energy in Accelerated Molecular Dynamics SimulationsWilliam Sinko, César Augusto F de Oliveira, Levi C T Pierce, et al.Journal of Chemical Theory and Computation|January 15, 2013
w-REXAMD: A Hamiltonian Replica Exchange Approach to Improve Free Energy Calculations for Systems with Kinetically Trapped ConformationsMehrnoosh Arrar, Cesar Augusto F de Oliveira, Mikolai Fajer, et al.Pageof 2