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Guanglei Cui
Guanglei Cui
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Year
Amber 10
DA Case, TA Darden, TE Cheatham, CL Simmerling, J Wang, RE Duke, ...
University of California, 2008
12211*2008
AMBER 10; University of California: San Francisco, 2008
DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ...
Google Scholar There is no corresponding record for this reference, 2008
5092008
AMBER 12 University of California
DA Case, TA Darden, TE Cheatham, CL Simmerling, J Wang, RE Duke, ...
San Francisco 1 (3), 2012
1812012
Modified replica exchange simulation methods for local structure refinement
X Cheng, G Cui, V Hornak, C Simmerling
The Journal of Physical Chemistry B 109 (16), 8220-8230, 2005
1632005
Inhibition of the bacterial enoyl reductase FabI by triclosan: A structure− reactivity analysis of FabI inhibition by triclosan analogues
S Sivaraman, TJ Sullivan, F Johnson, P Novichenok, G Cui, C Simmerling, ...
Journal of medicinal chemistry 47 (3), 509-518, 2004
1592004
X-ray diffraction “fingerprinting” of DNA structure in solution for quantitative evaluation of molecular dynamics simulation
X Zuo, G Cui, KM Merz Jr, L Zhang, FD Lewis, DM Tiede
Proceedings of the National Academy of Sciences 103 (10), 3534-3539, 2006
1222006
AMBER, version 10
DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ...
University of California, San Francisco, CA, 2008
1152008
Improving convergence of replica-exchange simulations through coupling to a high-temperature structure reservoir
A Okur, DR Roe, G Cui, V Hornak, C Simmerling
Journal of chemical theory and computation 3 (2), 557-568, 2007
992007
Amber
HW Sun, MO Olson
Emily Carr University of Art and Design, 2012
862012
Importance of dispersion and electron correlation in ab initio protein folding
X He, L Fusti-Molnar, G Cui, KM Merz Jr
The Journal of Physical Chemistry B 113 (15), 5290-5300, 2009
812009
Kollman PA
DA Case, TA Darden, ITE Cheatham, CL Simmerling, J Wang, RE Duke, ...
Amber, 2018
732018
AMBER 12; University of California, San Francisco: San Francisco, CA, 2012
DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ...
There is no corresponding record for this reference, 0
67
SPAM: a simple approach for profiling bound water molecules
G Cui, JM Swails, ES Manas
Journal of Chemical Theory and Computation 9 (12), 5539-5549, 2013
572013
Critical assessment of quantum mechanics based energy restraints in protein crystal structure refinement
N Yu, X Li, G Cui, SA Hayik, KM Merz Jr
Protein science 15 (12), 2773-2784, 2006
472006
Catalytic mechanism of aromatic prenylation by NphB
Y Yang, Y Miao, B Wang, G Cui, KM Merz Jr
Biochemistry 51 (12), 2606-2618, 2012
412012
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
SB Rafi, G Cui, K Song, X Cheng, PJ Tonge, C Simmerling
Journal of medicinal chemistry 49 (15), 4574-4580, 2006
402006
Computational studies of the farnesyltransferase ternary complex part II: The conformational activation of farnesyldiphosphate
G Cui, KM Merz
Biochemistry 46 (43), 12375-12381, 2007
342007
Computational studies of the farnesyltransferase ternary complex part I: substrate binding
G Cui, B Wang, KM Merz
Biochemistry 44 (50), 16513-16523, 2005
342005
Understanding the substrate selectivity and the product regioselectivity of Orf2-catalyzed aromatic prenylations
G Cui, X Li, KM Merz
Biochemistry 46 (5), 1303-1311, 2007
292007
Conformational heterogeneity observed in simulations of a pyrene-substituted DNA
G Cui, C Simmerling
Journal of the American Chemical Society 124 (41), 12154-12164, 2002
282002
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Articles 1–20