Asim Okur, Ph.D.
Affiliations: | 2007 | Stony Brook University, Stony Brook, NY, United States |
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"Asim Okur"Mean distance: 5687.57
Parents
Sign in to add mentor| Carlos Simmerling | grad student | 2007 | SUNY Stony Brook | |
| (Improved conformational sampling methods for molecular dynamics simulations.) | ||||
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Publications
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| Damjanovic A, Miller BT, Okur A, et al. (2018) Reservoir pH replica exchange. The Journal of Chemical Physics. 149: 072321 |
| Damjanovic A, Miller BT, Okur A, et al. (2015) Constant pH Simulations with the Double Reservoir pH Replica Exchange Biophysical Journal. 108: 47a |
| Okur A, Miller BT, Joo K, et al. (2013) Generating reservoir conformations for replica exchange through the use of the conformational space annealing method. Journal of Chemical Theory and Computation. 9: 1115-1124 |
| Smith DB, Okur A, Brooks B. (2012) MDMS: Molecular Dynamics Meta-Simulator for evaluating exchange type sampling methods. Chemical Physics Letters. 545: 118-124 |
| Smith DB, Okur A, Brooks BR. (2012) MDMS: Molecular dynamics meta-simulator for evaluating exchange type sampling methods Chemical Physics Letters. 545: 118-124 |
| Woodcock HL, Miller BT, Hodoscek M, et al. (2011) MSCALE: A General Utility for Multiscale Modeling. Journal of Chemical Theory and Computation. 7: 1208-1219 |
| Shang Y, Nguyen H, Wickstrom L, et al. (2011) Improving the description of salt bridge strength and geometry in a Generalized Born model. Journal of Molecular Graphics & Modelling. 29: 676-84 |
| Wickstrom L, Okur A, Simmerling C. (2009) Evaluating the performance of the ff99SB force field based on NMR scalar coupling data. Biophysical Journal. 97: 853-6 |
| Okur A, Wickstrom L, Simmerling C. (2008) Evaluation of Salt Bridge Structure and Energetics in Peptides Using Explicit, Implicit, and Hybrid Solvation Models. Journal of Chemical Theory and Computation. 4: 488-98 |
| Okur A, Roe DR, Cui G, et al. (2007) Improving Convergence of Replica-Exchange Simulations through Coupling to a High-Temperature Structure Reservoir. Journal of Chemical Theory and Computation. 3: 557-68 |