| Year |
Citation |
Score |
| 2023 |
Li Z, Chan KC, Nickels JD, Cheng X. Molecular Dynamics Refinement of Open State Serotonin 5-HT Receptor Structures. Journal of Chemical Information and Modeling. PMID 36757760 DOI: 10.1021/acs.jcim.2c01441 |
0.481 |
|
| 2022 |
Gerlits O, Fajer M, Cheng X, Blumenthal DK, Radić Z, Kovalevsky A. Structural and dynamic effects of paraoxon binding to human acetylcholinesterase by X-ray crystallography and inelastic neutron scattering. Structure (London, England : 1993). 30: 1538-1549.e3. PMID 36265484 DOI: 10.1016/j.str.2022.09.006 |
0.71 |
|
| 2022 |
Li Z, Chan KC, Nickels JD, Cheng X. Electrostatic Contributions to the Binding Free Energy of Nicotine to the Acetylcholine Binding Protein. The Journal of Physical Chemistry. B. PMID 36260486 DOI: 10.1021/acs.jpcb.2c04641 |
0.508 |
|
| 2021 |
Blumenthal DK, Cheng X, Fajer M, Ho KY, Rohrer J, Gerlits O, Taylor P, Juneja P, Kovalevsky A, Radić Z. Covalent inhibition of hAChE by organophosphates causes homodimer dissociation through long-range allosteric effects. The Journal of Biological Chemistry. 101007. PMID 34324828 DOI: 10.1016/j.jbc.2021.101007 |
0.71 |
|
| 2020 |
Mostofian B, Johnson QR, Smith JC, Cheng X. Carotenoids promote lateral packing and condensation of lipid membranes. Physical Chemistry Chemical Physics : Pccp. PMID 32432296 DOI: 10.1039/D0Cp01031F |
0.313 |
|
| 2020 |
Marquardt D, Heberle FA, Pan J, Cheng X, Pabst G, Harroun TA, Kucerka N, Katsaras J. The structures of polyunsaturated lipid bilayers by joint refinement of neutron and X-ray scattering data. Chemistry and Physics of Lipids. 104892. PMID 32061581 DOI: 10.1016/J.Chemphyslip.2020.104892 |
0.32 |
|
| 2020 |
Gorecki L, Gerlits O, Kong X, Cheng X, Blumenthal DK, Taylor P, Ballatore C, Kovalevsky A, Radić Z. Rational design, synthesis and evaluation of uncharged, "smart" bis-oxime antidotes of organophosphate-inhibited human acetylcholinesterase. Journal of Biological Chemistry. 295: 6784-6784. DOI: 10.2210/Pdb6U3P/Pdb |
0.331 |
|
| 2019 |
Shrestha UR, Juneja P, Zhang Q, Gurumoorthy V, Borreguero JM, Urban V, Cheng X, Pingali SV, Smith JC, O'Neill HM, Petridis L. Generation of the configurational ensemble of an intrinsically disordered protein from unbiased molecular dynamics simulation. Proceedings of the National Academy of Sciences of the United States of America. PMID 31548393 DOI: 10.1073/Pnas.1907251116 |
0.389 |
|
| 2019 |
Patri AS, Mostofian B, Pu Y, Ciaffone N, Soliman M, Smith MD, Kumar R, Cheng X, Wyman CE, Tetard L, Ragauskas AJ, Smith JC, Petridis L, Cai CM. A multifunctional co-solvent pair reveals molecular principles of biomass deconstruction. Journal of the American Chemical Society. PMID 31304747 DOI: 10.1021/Jacs.8B10242 |
0.341 |
|
| 2019 |
Guo P, Driver D, Zhao Z, Zheng Z, Chan C, Cheng X. Controlling the Revolving and Rotating Motion Direction of Asymmetric Hexameric Nanomotor by Arginine Finger and Channel Chirality. Acs Nano. PMID 31067030 DOI: 10.1021/Acsnano.8B08849 |
0.312 |
|
| 2019 |
Nickels JD, Smith MD, Alsop RJ, Himbert S, Yahya A, Cordner D, Zolnierczuk P, Stanley CB, Katsaras J, Cheng X, Rheinstadter MC. Lipid Rafts: Buffers of Cell Membrane Physical Properties. The Journal of Physical Chemistry. B. PMID 30605612 DOI: 10.1021/Acs.Jpcb.8B12126 |
0.303 |
|
| 2019 |
Gerlits O, Kong X, Cheng X, Wymore T, Blumenthal DK, Taylor P, Radić Z, Kovalevsky A. Productive reorientation of a bound oxime reactivator revealed in room-temperature X-ray structures of native and VX-inhibited human acetylcholinesterase. Journal of Biological Chemistry. 294: 10607-10618. DOI: 10.2210/Pdb6O66/Pdb |
0.351 |
|
| 2018 |
Ashkar R, Bilheux HZ, Bordallo H, Briber R, Callaway DJE, Cheng X, Chu XQ, Curtis JE, Dadmun M, Fenimore P, Fushman D, Gabel F, Gupta K, Herberle F, Heinrich F, et al. Neutron scattering in the biological sciences: progress and prospects. Acta Crystallographica. Section D, Structural Biology. 74: 1129-1168. PMID 30605130 DOI: 10.1107/S2059798318017503 |
0.308 |
|
| 2018 |
Chen Q, Yu HL, Cheng X, Xu JH. Structural investigation of the enantioselectivity and thermostability mechanisms of esterase RhEst1. Journal of Molecular Graphics & Modelling. 85: 182-189. PMID 30227363 DOI: 10.1016/J.Jmgm.2018.08.010 |
0.353 |
|
| 2018 |
Zhang Y, Chan C, Li Z, Ma J, Meng Q, Cheng X, Fan J. Lipid extraction by boron nitride nanosheets from liquid-ordered and liquid-disordered nanodomains. Nanoscale. PMID 29999094 DOI: 10.1039/C8Nr02018C |
0.44 |
|
| 2018 |
Li Z, Zhang Y, Chan C, Zhi C, Cheng X, Fan J. Temperature-Dependent Lipid Extraction from Membranes by Boron Nitride Nanosheets. Acs Nano. PMID 29518314 DOI: 10.1021/Acsnano.7B09095 |
0.438 |
|
| 2018 |
Johnson QR, Mostofian B, Fuente Gomez G, Smith JC, Cheng X. Effects of carotenoids on lipid bilayers. Physical Chemistry Chemical Physics : Pccp. PMID 29349456 DOI: 10.1039/C7Cp07126D |
0.317 |
|
| 2017 |
Zhang Y, Li Z, Chan C, Ma J, Zhi C, Cheng X, Fan J. Ordering of lipid membranes altered by boron nitride nanosheets. Physical Chemistry Chemical Physics : Pccp. PMID 29200219 DOI: 10.1039/C7Cp07136A |
0.47 |
|
| 2017 |
Zhou J, Smith MD, Cooper SJ, Cheng X, Smith JC, Parks JM. Modeling of the Passive Permeation of Mercury and Methylmercury Complexes Through a Bacterial Cytoplasmic Membrane. Environmental Science & Technology. PMID 28806072 DOI: 10.1021/Acs.Est.7B02204 |
0.319 |
|
| 2017 |
Nickels JD, Chatterjee S, Stanley CB, Qian S, Cheng X, Myles DAA, Standaert RF, Elkins JG, Katsaras J. The in vivo structure of biological membranes and evidence for lipid domains. Plos Biology. 15: e2002214. PMID 28542493 DOI: 10.1371/Journal.Pbio.2002214 |
0.306 |
|
| 2017 |
Cortini R, Cheng X, Smith JC. The tilt-dependent potential of mean force of a pair of DNA oligomers from all-atom molecular dynamics simulations. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 29: 084002. PMID 28092632 DOI: 10.1088/1361-648X/Aa4E68 |
0.31 |
|
| 2017 |
Nickels JD, Chatterjee S, Stanley C, Qian S, Cheng X, Myles DA, Standaert R, Elkins J, Katsaras J. Neutron Scattering to Study Membrane Systems: From Model Membranes to Living Cells Biophysical Journal. 112: 224a. DOI: 10.1016/J.Bpj.2016.11.1234 |
0.306 |
|
| 2016 |
Hong L, Jain N, Cheng X, Bernal A, Tyagi M, Smith JC. Determination of functional collective motions in a protein at atomic resolution using coherent neutron scattering. Science Advances. 2: e1600886. PMID 27757419 DOI: 10.1126/Sciadv.1600886 |
0.303 |
|
| 2016 |
Wu D, Fajer MI, Cao L, Cheng X, Yang W. Generalized Ensemble Sampling of Enzyme Reaction Free Energy Pathways. Methods in Enzymology. 577: 57-74. PMID 27498634 DOI: 10.1016/Bs.Mie.2016.05.012 |
0.698 |
|
| 2016 |
Mostofian B, Cai CM, Smith MD, Petridis L, Cheng X, Wyman CE, Smith JC. Local Phase Separation of Co-Solvents Enhances Pretreatment of Biomass for Bioenergy Applications. Journal of the American Chemical Society. PMID 27482599 DOI: 10.1021/Jacs.6B03285 |
0.329 |
|
| 2016 |
Sangha AK, Petridis L, Cheng X, Smith JC. Relative Binding Affinities of Monolignols to Horseradish Peroxidase. The Journal of Physical Chemistry. B. PMID 27447548 DOI: 10.1021/Acs.Jpcb.6B00789 |
0.325 |
|
| 2016 |
Kovalevsky A, Blumenthal DK, Cheng X, Taylor P, Radić Z. Limitations in current acetylcholinesterase structure-based design of oxime antidotes for organophosphate poisoning. Annals of the New York Academy of Sciences. PMID 27371941 DOI: 10.1111/Nyas.13128 |
0.309 |
|
| 2016 |
Vural D, Hu X, Lindner B, Jain N, Miao Y, Cheng X, Liu Z, Hong L, Smith JC. Quasielastic neutron scattering in biology: Theory and applications. Biochimica Et Biophysica Acta. PMID 27316321 DOI: 10.1016/J.Bbagen.2016.06.015 |
0.329 |
|
| 2016 |
Tian J, Nickels JD, Katsaras J, Cheng X. The Behavior of Bilayer Leaflets in Asymmetric Model Membranes: Atomistic Simulation Studies. The Journal of Physical Chemistry. B. PMID 27121138 DOI: 10.1021/Acs.Jpcb.6B02148 |
0.358 |
|
| 2016 |
Smith MD, Mostofian B, Petridis L, Cheng X, Smith JC. Molecular Driving Forces Behind the Tetrahydrofuran-Water Miscibility Gap. The Journal of Physical Chemistry. B. PMID 26734991 DOI: 10.1021/Acs.Jpcb.5B09770 |
0.32 |
|
| 2016 |
Smith MD, Mostofian B, Cheng X, Petridis L, Cai CM, Wyman CE, Smith JC. Cosolvent pretreatment in cellulosic biofuel production: Effect of tetrahydrofuran-water on lignin structure and dynamics Green Chemistry. 18: 1268-1277. DOI: 10.1039/C5Gc01952D |
0.326 |
|
| 2015 |
Harris BJ, Cheng X, Frymier P. The Structure and Function of Photosystem I - [FeFe] Hydrogenase Protein Fusions: An All-Atom Molecular Dynamics Study. The Journal of Physical Chemistry. B. PMID 26671167 DOI: 10.1021/Acs.Jpcb.5B07812 |
0.344 |
|
| 2015 |
Chen Q, Luan ZJ, Yu HL, Cheng X, Xu JH. Rational design of a carboxylic esterase RhEst1 based on computational analysis of substrate binding. Journal of Molecular Graphics & Modelling. 62: 319-324. PMID 26556053 DOI: 10.1016/J.Jmgm.2015.10.015 |
0.378 |
|
| 2015 |
Nickels JD, Cheng X, Mostofian B, Stanley C, Lindner B, Heberle FA, Perticaroli S, Feygenson M, Egami T, Standaert RF, Smith JC, Myles DA, Ohl M, Katsaras J. Mechanical properties of nanoscopic lipid domains. Journal of the American Chemical Society. PMID 26415030 DOI: 10.1021/Jacs.5B08894 |
0.315 |
|
| 2015 |
Nickels JD, Smith JC, Cheng X. Lateral organization, bilayer asymmetry, and inter-leaflet coupling of biological membranes. Chemistry and Physics of Lipids. PMID 26232661 DOI: 10.1016/J.Chemphyslip.2015.07.012 |
0.316 |
|
| 2015 |
Lv C, Aitchison EW, Wu D, Zheng L, Cheng X, Yang W. Comparative exploration of hydrogen sulfide and water transmembrane free energy surfaces via orthogonal space tempering free energy sampling. Journal of Computational Chemistry. PMID 26119423 DOI: 10.1002/Jcc.23982 |
0.336 |
|
| 2015 |
Khadka NK, Cheng X, Ho CS, Katsaras J, Pan J. Interactions of the anticancer drug tamoxifen with lipid membranes. Biophysical Journal. 108: 2492-501. PMID 25992727 DOI: 10.1016/J.Bpj.2015.04.010 |
0.34 |
|
| 2015 |
Chen Q, Luan ZJ, Cheng X, Xu JH. Molecular dynamics investigation of the substrate binding mechanism in carboxylesterase. Biochemistry. 54: 1841-8. PMID 25711934 DOI: 10.1021/Bi5015612 |
0.38 |
|
| 2015 |
Chen Q, Cheng X, Wei D, Xu Q. Molecular dynamics simulation studies of the wild type and E92Q/N155H mutant of Elvitegravir-resistance HIV-1 integrase. Interdisciplinary Sciences, Computational Life Sciences. 7: 36-42. PMID 25519157 DOI: 10.1007/S12539-014-0235-8 |
0.305 |
|
| 2015 |
Pan J, Cheng X, Sharp M, Ho CS, Khadka N, Katsaras J. Structural and mechanical properties of cardiolipin lipid bilayers determined using neutron spin echo, small angle neutron and X-ray scattering, and molecular dynamics simulations. Soft Matter. 11: 130-8. PMID 25369786 DOI: 10.1039/C4Sm02227K |
0.356 |
|
| 2015 |
Hu X, Hong L, Dean Smith M, Neusius T, Cheng X, Smith JC. The dynamics of single protein molecules is non-equilibrium and self-similar over thirteen decades in time Nature Physics. DOI: 10.1038/Nphys3553 |
0.313 |
|
| 2015 |
Nickels JD, Ohl M, Cheng X, Stanley C, Heberle F, Standaert R, Katsaras J. Experiment and Simulation Reveal the Bending Properties of Nanoscopic Lipid Domains Biophysical Journal. 108: 31a. DOI: 10.1016/J.Bpj.2014.11.197 |
0.315 |
|
| 2014 |
Erler J, Zhang R, Petridis L, Cheng X, Smith JC, Langowski J. The role of histone tails in the nucleosome: a computational study. Biophysical Journal. 107: 2911-22. PMID 25517156 DOI: 10.1016/J.Bpj.2014.10.065 |
0.327 |
|
| 2014 |
Harris BJ, Cheng X, Frymier P. All-atom molecular dynamics simulation of a photosystem i/detergent complex. The Journal of Physical Chemistry. B. 118: 11633-45. PMID 25233289 DOI: 10.1021/Jp507157E |
0.381 |
|
| 2014 |
Mostofian B, Cheng X, Smith JC. Replica-exchange molecular dynamics simulations of cellulose solvated in water and in the ionic liquid 1-butyl-3-methylimidazolium chloride. The Journal of Physical Chemistry. B. 118: 11037-49. PMID 25180945 DOI: 10.1021/Jp502889C |
0.347 |
|
| 2014 |
Hong L, Sharp MA, Poblete S, Biehl R, Zamponi M, Szekely N, Appavou MS, Winkler RG, Nauss RE, Johs A, Parks JM, Yi Z, Cheng X, Liang L, Ohl M, et al. Structure and dynamics of a compact state of a multidomain protein, the mercuric ion reductase. Biophysical Journal. 107: 393-400. PMID 25028881 DOI: 10.1016/J.Bpj.2014.06.013 |
0.349 |
|
| 2014 |
Pan J, Cheng X, Monticelli L, Heberle FA, Kučerka N, Tieleman DP, Katsaras J. The molecular structure of a phosphatidylserine bilayer determined by scattering and molecular dynamics simulations. Soft Matter. 10: 3716-25. PMID 24807693 DOI: 10.1039/C4Sm00066H |
0.377 |
|
| 2014 |
Le RK, Harris BJ, Iwuchukwu IJ, Bruce BD, Cheng X, Qian S, Heller WT, O'Neill H, Frymier PD. Analysis of the solution structure of Thermosynechococcus elongatus photosystem I in n-dodecyl-β-D-maltoside using small-angle neutron scattering and molecular dynamics simulation. Archives of Biochemistry and Biophysics. 550: 50-7. PMID 24769336 DOI: 10.1016/J.Abb.2014.04.005 |
0.34 |
|
| 2014 |
Srinivas G, Cheng X, Smith JC. Coarse-grain model for natural cellulose fibrils in explicit water. The Journal of Physical Chemistry. B. 118: 3026-34. PMID 24564237 DOI: 10.1021/Jp407953P |
0.354 |
|
| 2014 |
Alekozai EM, GhattyVenkataKrishna PK, Uberbacher EC, Crowley MF, Smith JC, Cheng X. Simulation analysis of the cellulase Cel7A carbohydrate binding module on the surface of the cellulose Iβ Cellulose. 21: 951-971. DOI: 10.1007/S10570-013-0026-0 |
0.321 |
|
| 2014 |
Mostofian B, Smith JC, Cheng X. Simulation of a cellulose fiber in ionic liquid suggests a synergistic approach to dissolution Cellulose. 21: 983-997. DOI: 10.1007/S10570-013-0018-0 |
0.324 |
|
| 2013 |
Chen Q, Buolamwini JK, Smith JC, Li A, Xu Q, Cheng X, Wei D. Impact of resistance mutations on inhibitor binding to HIV-1 integrase. Journal of Chemical Information and Modeling. 53: 3297-307. PMID 24205814 DOI: 10.1021/Ci400537N |
0.343 |
|
| 2013 |
Devarajan A, Markutsya S, Lamm MH, Cheng X, Smith JC, Baluyut JY, Kholod Y, Gordon MS, Windus TL. Ab initio study of molecular interactions in cellulose Iα. The Journal of Physical Chemistry. B. 117: 10430-43. PMID 23937275 DOI: 10.1021/Jp406266U |
0.31 |
|
| 2013 |
Ghattyvenkatakrishna PK, Alekozai EM, Beckham GT, Schulz R, Crowley MF, Uberbacher EC, Cheng X. Initial recognition of a cellodextrin chain in the cellulose-binding tunnel may affect cellobiohydrolase directional specificity. Biophysical Journal. 104: 904-12. PMID 23442969 DOI: 10.1016/J.Bpj.2012.12.052 |
0.355 |
|
| 2013 |
Zhang B, Lu B, Cheng X, Huang J, Pitsianis NP, Sun X, McCammon JA. Mathematical and numerical aspects of the adaptive fast multipole Poisson-Boltzmann solver Communications in Computational Physics. 13: 107-128. DOI: 10.4208/Cicp.210711.111111S |
0.457 |
|
| 2013 |
Lu B, Cheng X, Huang J, McCammon JA. AFMPB: An adaptive fast multipole Poisson-Boltzmann solver for calculating electrostatics in biomolecular systems Computer Physics Communications. 184: 2618-2619. DOI: 10.1016/j.cpc.2013.05.012 |
0.322 |
|
| 2012 |
Pan J, Cheng X, Heberle FA, Mostofian B, Kučerka N, Drazba P, Katsaras J. Interactions between ether phospholipids and cholesterol as determined by scattering and molecular dynamics simulations. The Journal of Physical Chemistry. B. 116: 14829-38. PMID 23199292 DOI: 10.1021/Jp310345J |
0.333 |
|
| 2012 |
Glass DC, Moritsugu K, Cheng X, Smith JC. REACH coarse-grained simulation of a cellulose fiber. Biomacromolecules. 13: 2634-44. PMID 22937726 DOI: 10.1021/Bm300460F |
0.321 |
|
| 2012 |
Wang HL, Cheng X, Sine SM. Intramembrane proton binding site linked to activation of bacterial pentameric ion channel. The Journal of Biological Chemistry. 287: 6482-9. PMID 22084238 DOI: 10.1074/Jbc.M111.305839 |
0.317 |
|
| 2011 |
Srinivas G, Cheng X, Smith JC. A Solvent-Free Coarse Grain Model for Crystalline and Amorphous Cellulose Fibrils. Journal of Chemical Theory and Computation. 7: 2539-48. PMID 26606627 DOI: 10.1021/Ct200181T |
0.363 |
|
| 2011 |
Mostofian B, Smith JC, Cheng X. The solvation structures of cellulose microfibrils in ionic liquids. Interdisciplinary Sciences, Computational Life Sciences. 3: 308-20. PMID 22179764 DOI: 10.1007/S12539-011-0111-8 |
0.305 |
|
| 2011 |
Xu Z, Cheng X, Yang H. Treecode-based generalized Born method. The Journal of Chemical Physics. 134: 064107. PMID 21322661 DOI: 10.1063/1.3552945 |
0.303 |
|
| 2010 |
Lu B, Cheng X, Huang J, McCammon JA. AFMPB: An Adaptive Fast Multipole Poisson-Boltzmann Solver for Calculating Electrostatics in Biomolecular Systems. Computer Physics Communications. 181: 1150-1160. PMID 20532187 DOI: 10.1016/J.Cpc.2010.02.015 |
0.414 |
|
| 2010 |
Alekozai EM, Cheng X, Smith JC. Analysis of the Cellulose-Cellulase Interaction Biophysical Journal. 98: 433a. DOI: 10.1016/J.Bpj.2009.12.2347 |
0.317 |
|
| 2009 |
Lu B, Cheng X, Huang J, McCammon JA. An Adaptive Fast Multipole Boundary Element Method for Poisson-Boltzmann Electrostatics. Journal of Chemical Theory and Computation. 5: 1692-1699. PMID 19517026 DOI: 10.1021/Ct900083K |
0.436 |
|
| 2009 |
Cheng X, Ivanov I, Wang H, Sine SM, McCammon JA. Molecular-dynamics simulations of ELIC-a prokaryotic homologue of the nicotinic acetylcholine receptor. Biophysical Journal. 96: 4502-13. PMID 19486673 DOI: 10.1016/J.Bpj.2009.03.018 |
0.516 |
|
| 2009 |
Wang HL, Toghraee R, Papke D, Cheng XL, McCammon JA, Ravaioli U, Sine SM. Single-channel current through nicotinic receptor produced by closure of binding site C-loop. Biophysical Journal. 96: 3582-90. PMID 19413963 DOI: 10.1016/J.Bpj.2009.02.020 |
0.424 |
|
| 2009 |
Amaro RE, Cheng X, Ivanov I, Xu D, McCammon JA. Characterizing loop dynamics and ligand recognition in human- and avian-type influenza neuraminidases via generalized born molecular dynamics and end-point free energy calculations. Journal of the American Chemical Society. 131: 4702-9. PMID 19296611 DOI: 10.1021/Ja8085643 |
0.504 |
|
| 2008 |
Cheng YH, Cheng XL, Radić Z, McCammon JA. Acetylcholinesterase: mechanisms of covalent inhibition of H447I mutant determined by computational analyses. Chemico-Biological Interactions. 175: 196-9. PMID 18657802 DOI: 10.1016/j.cbi.2008.04.044 |
0.605 |
|
| 2008 |
Wang HL, Cheng X, Taylor P, McCammon JA, Sine SM. Control of cation permeation through the nicotinic receptor channel. Plos Computational Biology. 4: e41. PMID 18282090 DOI: 10.1371/Journal.Pcbi.0040041 |
0.445 |
|
| 2007 |
Lu B, Cheng X, McCammon JA. "New-version-fast-multipole-method" accelerated electrostatic interactions in biomolecular systems. Journal of Computational Physics. 226: 1348-1366. PMID 18379638 DOI: 10.1016/J.Jcp.2007.05.026 |
0.457 |
|
| 2007 |
Cheng X, Ivanov I, Wang H, Sine SM, McCammon JA. Nanosecond-timescale conformational dynamics of the human alpha7 nicotinic acetylcholine receptor. Biophysical Journal. 93: 2622-34. PMID 17573436 DOI: 10.1529/Biophysj.107.109843 |
0.455 |
|
| 2007 |
Ivanov I, Cheng X, Sine SM, McCammon JA. Barriers to ion translocation in cationic and anionic receptors from the Cys-loop family. Journal of the American Chemical Society. 129: 8217-24. PMID 17552523 DOI: 10.1021/Ja070778L |
0.467 |
|
| 2007 |
Cheng Y, Cheng X, Radić Z, McCammon JA. Acetylcholinesterase: mechanisms of covalent inhibition of wild-type and H447I mutant determined by computational analyses. Journal of the American Chemical Society. 129: 6562-70. PMID 17461584 DOI: 10.1021/Ja070601R |
0.632 |
|
| 2006 |
Lu B, Cheng X, Huang J, McCammon JA. Order N algorithm for computation of electrostatic interactions in biomolecular systems. Proceedings of the National Academy of Sciences of the United States of America. 103: 19314-9. PMID 17148613 DOI: 10.1073/pnas.0605166103 |
0.369 |
|
| 2006 |
Cheng X, Wang H, Grant B, Sine SM, McCammon JA. Targeted molecular dynamics study of C-loop closure and channel gating in nicotinic receptors. Plos Computational Biology. 2: e134. PMID 17009865 DOI: 10.1371/Journal.Pcbi.0020134 |
0.503 |
|
| 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 |
0.668 |
|
| 2006 |
Cheng X, Lu B, Grant B, Law RJ, McCammon JA. Channel opening motion of alpha7 nicotinic acetylcholine receptor as suggested by normal mode analysis. Journal of Molecular Biology. 355: 310-24. PMID 16307758 DOI: 10.1016/J.Jmb.2005.10.039 |
0.439 |
|
| 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 |
0.701 |
|
| 2005 |
Cheng X, Kelso C, Hornak V, de los Santos C, Grollman AP, Simmerling C. Dynamic behavior of DNA base pairs containing 8-oxoguanine. Journal of the American Chemical Society. 127: 13906-18. PMID 16201812 DOI: 10.1021/Ja052542S |
0.589 |
|
| 2005 |
Lu B, Cheng X, Hou T, McCammon JA. Calculation of the Maxwell stress tensor and the Poisson-Boltzmann force on a solvated molecular surface using hypersingular boundary integrals. The Journal of Chemical Physics. 123: 084904. PMID 16164327 DOI: 10.1063/1.2008252 |
0.459 |
|
| 2004 |
Cheng X, Hornak V, Simmerling C. Improved conformational sampling through an efficient combination of mean-field simulation approaches Journal of Physical Chemistry B. 108: 426-437. DOI: 10.1021/Jp034505Y |
0.612 |
|
| Show low-probability matches. |