Xiaolin Cheng
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Enantioselective electrophilic trifluoromethylthiolation of β-ketoesters: a case of reactivity and selectivity bias for organocatalysis.
X Wang, T Yang, X Cheng, Q Shen
Angewandte Chemie 125 (49), 2013
The dynamics of single protein molecules is non-equilibrium and self-similar over thirteen decades in time
X Hu, L Hong, M Dean Smith, T Neusius, X Cheng, JC Smith
Nature Physics 12 (2), 171-174, 2016
Order N algorithm for computation of electrostatic interactions in biomolecular systems
B Lu, X Cheng, J Huang, JA McCammon
Proceedings of the National Academy of Sciences 103 (51), 19314-19319, 2006
The in vivo structure of biological membranes and evidence for lipid domains
JD Nickels, S Chatterjee, CB Stanley, S Qian, X Cheng, DAA Myles, ...
PLoS biology 15 (5), e2002214, 2017
Targeted molecular dynamics study of C-loop closure and channel gating in nicotinic receptors
X Cheng, H Wang, B Grant, SM Sine, JA McCammon
PLoS computational biology 2 (9), e134, 2006
Characterizing loop dynamics and ligand recognition in human-and avian-type influenza neuraminidases via generalized born molecular dynamics and end-point free energy calculations
RE Amaro, X Cheng, I Ivanov, D Xu, JA McCammon
Journal of the American Chemical Society 131 (13), 4702-4709, 2009
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
Biological membrane organization and cellular signaling
X Cheng, JC Smith
Chemical reviews 119 (9), 5849-5880, 2019
Channel opening motion of α7 nicotinic acetylcholine receptor as suggested by normal mode analysis
X Cheng, B Lu, B Grant, RJ Law, JA McCammon
Journal of molecular biology 355 (2), 310-324, 2006
Cosolvent pretreatment in cellulosic biofuel production: effect of tetrahydrofuran-water on lignin structure and dynamics
MD Smith, B Mostofian, X Cheng, L Petridis, CM Cai, CE Wyman, ...
Green Chemistry 18 (5), 1268-1277, 2016
Lateral organization, bilayer asymmetry, and inter-leaflet coupling of biological membranes
JD Nickels, JC Smith, X Cheng
Chemistry and physics of lipids 192, 87-99, 2015
Mechanical properties of nanoscopic lipid domains
JD Nickels, X Cheng, B Mostofian, C Stanley, B Lindner, FA Heberle, ...
Journal of the American Chemical Society 137 (50), 15772-15780, 2015
The role of histone tails in the nucleosome: a computational study
J Erler, R Zhang, L Petridis, X Cheng, JC Smith, J Langowski
Biophysical journal 107 (12), 2911-2922, 2014
The molecular structure of a phosphatidylserine bilayer determined by scattering and molecular dynamics simulations
J Pan, X Cheng, L Monticelli, FA Heberle, N Kučerka, DP Tieleman, ...
Soft matter 10 (21), 3716-3725, 2014
Dynamic behavior of DNA base pairs containing 8-oxoguanine
X Cheng, C Kelso, V Hornak, C de los Santos, AP Grollman, ...
Journal of the American Chemical Society 127 (40), 13906-13918, 2005
Local phase separation of co-solvents enhances pretreatment of biomass for bioenergy applications
B Mostofian, CM Cai, MD Smith, L Petridis, X Cheng, CE Wyman, ...
Journal of the American Chemical Society 138 (34), 10869-10878, 2016
A new crystal form of human acetylcholinesterase for exploratory room-temperature crystallography studies
O Gerlits, KY Ho, X Cheng, D Blumenthal, P Taylor, A Kovalevsky, Z Radić
Chemico-biological interactions 309, 108698, 2019
Description of hydration water in protein (green fluorescent protein) solution
S Perticaroli, G Ehlers, CB Stanley, E Mamontov, H O’Neill, Q Zhang, ...
Journal of the American Chemical Society 139 (3), 1098-1105, 2017
Nanosecond-timescale conformational dynamics of the human α7 nicotinic acetylcholine receptor
X Cheng, I Ivanov, H Wang, SM Sine, JA McCammon
Biophysical journal 93 (8), 2622-2634, 2007
Generation of the configurational ensemble of an intrinsically disordered protein from unbiased molecular dynamics simulation
UR Shrestha, P Juneja, Q Zhang, V Gurumoorthy, JM Borreguero, ...
Proceedings of the National Academy of Sciences 116 (41), 20446-20452, 2019
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