Guanglei Cui, Ph.D.
Affiliations: | 2003 | Stony Brook University, Stony Brook, NY, United States |
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"Guanglei Cui"Mean distance: 5687.57
Parents
Sign in to add mentorCarlos Simmerling | grad student | 2003 | SUNY Stony Brook | |
(Heterogeneity: From structure refinement to protein folding.) |
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Publications
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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 |
Rafi SB, Cui G, Song K, et al. (2006) Insight through molecular mechanics Poisson-Boltzmann surface area calculations into the binding affinity of triclosan and three analogues for FabI, the E. coli enoyl reductase. Journal of Medicinal Chemistry. 49: 4574-80 |
Cheng X, Cui G, Hornak V, et al. (2005) Modified replica exchange simulation methods for local structure refinement. The Journal of Physical Chemistry. B. 109: 8220-30 |
Cui G, Wang B, Merz KM. (2005) Computational studies of the farnesyltransferase ternary complex part I: substrate binding. Biochemistry. 44: 16513-23 |
Sivaraman S, Sullivan TJ, Johnson F, et al. (2004) Inhibition of the bacterial enoyl reductase FabI by triclosan: a structure-reactivity analysis of FabI inhibition by triclosan analogues. Journal of Medicinal Chemistry. 47: 509-18 |
Cui G, Simmerling C. (2002) Conformational heterogeneity observed in simulations of a pyrene-substituted DNA. Journal of the American Chemical Society. 124: 12154-64 |