| Year |
Citation |
Score |
| 2015 |
Kim MO, Feng X, Feixas F, Zhu W, Lindert S, Bogue S, Sinko W, de Oliveira C, Rao G, Oldfield E, McCammon JA. 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. PMID 25352216 DOI: 10.1111/Cbdd.12463 |
0.469 |
|
| 2014 |
Miao Y, Sinko W, Pierce L, Bucher D, Walker RC, McCammon JA. Improved Reweighting of Accelerated Molecular Dynamics Simulations for Free Energy Calculation. Journal of Chemical Theory and Computation. 10: 2677-2689. PMID 25061441 DOI: 10.1021/Ct500090Q |
0.683 |
|
| 2014 |
Sinko W, Wang Y, Zhu W, Zhang Y, Feixas F, Cox CL, Mitchell DA, Oldfield E, McCammon JA. Undecaprenyl diphosphate synthase inhibitors: antibacterial drug leads. Journal of Medicinal Chemistry. 57: 5693-701. PMID 24827744 DOI: 10.1021/Jm5004649 |
0.412 |
|
| 2014 |
Feixas F, Lindert S, Sinko W, McCammon JA. Exploring the role of receptor flexibility in structure-based drug discovery. Biophysical Chemistry. 186: 31-45. PMID 24332165 DOI: 10.1016/J.Bpc.2013.10.007 |
0.506 |
|
| 2013 |
Sinko W, Miao Y, de Oliveira CA, McCammon JA. Population based reweighting of scaled molecular dynamics. The Journal of Physical Chemistry. B. 117: 12759-68. PMID 23721224 DOI: 10.1021/Jp401587E |
0.691 |
|
| 2013 |
Arrar M, de Oliveira CA, Fajer M, Sinko W, McCammon JA. 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. PMID 23316122 DOI: 10.1021/Ct300896H |
0.624 |
|
| 2013 |
Sinko W, Lindert S, McCammon JA. Accounting for receptor flexibility and enhanced sampling methods in computer-aided drug design. Chemical Biology & Drug Design. 81: 41-9. PMID 23253130 DOI: 10.1111/Cbdd.12051 |
0.579 |
|
| 2013 |
Zhu W, Zhang Y, Sinko W, Hensler ME, Olson J, Molohon KJ, Lindert S, Cao R, Li K, Wang K, Wang Y, Liu YL, Sankovsky A, de Oliveira CA, Mitchell DA, et al. Antibacterial drug leads targeting isoprenoid biosynthesis. Proceedings of the National Academy of Sciences of the United States of America. 110: 123-8. PMID 23248302 DOI: 10.1073/Pnas.1219899110 |
0.44 |
|
| 2012 |
Sinko W, de Oliveira CA, Pierce LC, McCammon JA. 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. PMID 22241967 DOI: 10.1021/Ct200615K |
0.7 |
|
| 2012 |
Sinko W, Sierecki E, de Oliveira CA, McCammon JA. Guide to virtual screening: application to the Akt phosphatase PHLPP. Methods in Molecular Biology (Clifton, N.J.). 819: 561-73. PMID 22183558 DOI: 10.1007/978-1-61779-465-0_33 |
0.419 |
|
| 2012 |
Arrar M, Sinko W, Fajer M, Agusto C, Oliveira Fd, McCammon JA. Fast and Accurate Calculation of Small Molecule Solvation Free Energies using Replica Exchange Accelerated Molecular Dynamics Biophysical Journal. 102: 447a. DOI: 10.1016/J.Bpj.2011.11.2450 |
0.63 |
|
| 2011 |
Sinko W, de Oliveira C, Williams S, Van Wynsberghe A, Durrant JD, Cao R, Oldfield E, McCammon JA. Applying molecular dynamics simulations to identify rarely sampled ligand-bound conformational states of undecaprenyl pyrophosphate synthase, an antibacterial target. Chemical Biology & Drug Design. 77: 412-20. PMID 21294851 DOI: 10.1111/J.1747-0285.2011.01101.X |
0.662 |
|
| 2010 |
Sierecki E, Sinko W, McCammon JA, Newton AC. Discovery of small molecule inhibitors of the PH domain leucine-rich repeat protein phosphatase (PHLPP) by chemical and virtual screening. Journal of Medicinal Chemistry. 53: 6899-911. PMID 20836557 DOI: 10.1021/Jm100331D |
0.421 |
|
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