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Guanglei Cui, Ph.D. - Publications

Affiliations: 
2003 Stony Brook University, Stony Brook, NY, United States 
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6 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2007 Okur A, Roe DR, Cui G, Hornak V, Simmerling C. Improving Convergence of Replica-Exchange Simulations through Coupling to a High-Temperature Structure Reservoir. Journal of Chemical Theory and Computation. 3: 557-68. PMID 26637035 DOI: 10.1021/ct600263e  0.603
2006 Rafi SB, Cui G, Song K, Cheng X, Tonge PJ, Simmerling C. 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. PMID 16854062 DOI: 10.1021/Jm060222T  0.6
2005 Cheng X, Cui G, Hornak V, Simmerling C. Modified replica exchange simulation methods for local structure refinement. The Journal of Physical Chemistry. B. 109: 8220-30. PMID 16851961 DOI: 10.1021/Jp045437Y  0.654
2005 Cui G, Wang B, Merz KM. Computational studies of the farnesyltransferase ternary complex part I: substrate binding. Biochemistry. 44: 16513-23. PMID 16342942 DOI: 10.1021/bi051020m  0.304
2004 Sivaraman S, Sullivan TJ, Johnson F, Novichenok P, Cui G, Simmerling C, Tonge PJ. 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. PMID 14736233 DOI: 10.1021/Jm030182I  0.557
2002 Cui G, Simmerling C. Conformational heterogeneity observed in simulations of a pyrene-substituted DNA. Journal of the American Chemical Society. 124: 12154-64. PMID 12371855 DOI: 10.1021/Ja026825L  0.622
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