William Sinko
Affiliations: | 2012 | Biomedical Sciences | University of California, San Diego, La Jolla, CA |
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Parents
Sign in to add mentor| J. Andrew McCammon | grad student | 2012 | UCSD | |
| (Applications and Method Development in the Simulation of Ligands Binding to Drug Targets.) | ||||
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Publications
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| Kim MO, Feng X, Feixas F, et al. (2015) A Molecular Dynamics Investigation of Mycobacterium tuberculosis Prenyl Synthases: Conformational Flexibility and Implications for Computer-aided Drug Discovery. Chemical Biology & Drug Design. 85: 756-69 |
| Miao Y, Sinko W, Pierce L, et al. (2014) Improved Reweighting of Accelerated Molecular Dynamics Simulations for Free Energy Calculation. Journal of Chemical Theory and Computation. 10: 2677-2689 |
| Sinko W, Wang Y, Zhu W, et al. (2014) Undecaprenyl diphosphate synthase inhibitors: antibacterial drug leads. Journal of Medicinal Chemistry. 57: 5693-701 |
| Feixas F, Lindert S, Sinko W, et al. (2014) Exploring the role of receptor flexibility in structure-based drug discovery. Biophysical Chemistry. 186: 31-45 |
| Sinko W, Miao Y, de Oliveira CA, et al. (2013) Population based reweighting of scaled molecular dynamics. The Journal of Physical Chemistry. B. 117: 12759-68 |
| Arrar M, de Oliveira CA, Fajer M, et al. (2013) w-REXAMD: A Hamiltonian Replica Exchange Approach to Improve Free Energy Calculations for Systems with Kinetically Trapped Conformations. Journal of Chemical Theory and Computation. 9: 18-23 |
| Sinko W, Lindert S, McCammon JA. (2013) Accounting for receptor flexibility and enhanced sampling methods in computer-aided drug design. Chemical Biology & Drug Design. 81: 41-9 |
| Zhu W, Zhang Y, Sinko W, et al. (2013) Antibacterial drug leads targeting isoprenoid biosynthesis. Proceedings of the National Academy of Sciences of the United States of America. 110: 123-8 |
| Sinko W, de Oliveira CA, Pierce LC, et al. (2012) Protecting High Energy Barriers: A New Equation to Regulate Boost Energy in Accelerated Molecular Dynamics Simulations. Journal of Chemical Theory and Computation. 8: 17-23 |
| Sinko W, Sierecki E, de Oliveira CA, et al. (2012) Guide to virtual screening: application to the Akt phosphatase PHLPP. Methods in Molecular Biology (Clifton, N.J.). 819: 561-73 |