Yuhui Cheng, Ph.D. - Publications

2007 Chemistry University of California, San Diego, La Jolla, CA 
Physical Chemistry

21 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
2015 Cheng Y, Rao V, Tu AY, Lindert S, Wang D, Oxenford L, McCulloch AD, McCammon JA, Regnier M. Troponin I Mutations R146G and R21C Alter Cardiac Troponin Function, Contractile Properties, and Modulation by Protein Kinase A (PKA)-mediated Phosphorylation. The Journal of Biological Chemistry. 290: 27749-66. PMID 26391394 DOI: 10.1074/jbc.M115.683045  0.6
2015 Lindert S, Cheng Y, Kekenes-Huskey P, Regnier M, McCammon JA. Effects of HCM cTnI mutation R145G on troponin structure and modulation by PKA phosphorylation elucidated by molecular dynamics simulations. Biophysical Journal. 108: 395-407. PMID 25606687 DOI: 10.1016/j.bpj.2014.11.3461  0.6
2014 Cheng Y, Lindert S, Kekenes-Huskey P, Rao VS, Solaro RJ, Rosevear PR, Amaro R, McCulloch AD, McCammon JA, Regnier M. Computational studies of the effect of the S23D/S24D troponin I mutation on cardiac troponin structural dynamics. Biophysical Journal. 107: 1675-85. PMID 25296321 DOI: 10.1016/j.bpj.2014.08.008  0.6
2014 Rao V, Cheng Y, Lindert S, Wang D, Oxenford L, McCulloch AD, McCammon JA, Regnier M. PKA phosphorylation of cardiac troponin I modulates activation and relaxation kinetics of ventricular myofibrils. Biophysical Journal. 107: 1196-204. PMID 25185555 DOI: 10.1016/j.bpj.2014.07.027  0.6
2013 Liao T, Zhang Y, Kekenes-Huskey PM, Cheng Y, Michailova A, McCulloch AD, Holst M, McCammon JA. Multi-core CPU or GPU-accelerated Multiscale Modeling for Biomolecular Complexes. Molecular Based Mathematical Biology (Online). 1. PMID 24352481 DOI: 10.2478/mlbmb-2013-0009  0.6
2012 Kekenes-Huskey PM, Cheng Y, Hake JE, Sachse FB, Bridge JH, Holst MJ, McCammon JA, McCulloch AD, Michailova AP. Modeling effects of L-type ca(2+) current and na(+)-ca(2+) exchanger on ca(2+) trigger flux in rabbit myocytes with realistic T-tubule geometries. Frontiers in Physiology. 3: 351. PMID 23060801 DOI: 10.3389/fphys.2012.00351  0.96
2011 Kang M, Roberts C, Cheng Y, Chang CE. Gating and Intermolecular Interactions in Ligand-Protein Association: Coarse-Grained Modeling of HIV-1 Protease. Journal of Chemical Theory and Computation. 7: 3438-46. PMID 26598172 DOI: 10.1021/ct2004885  0.48
2010 Cheng Y, Yu Z, Hoshijima M, Holst MJ, McCulloch AD, McCammon JA, Michailova AP. Numerical analysis of Ca2+ signaling in rat ventricular myocytes with realistic transverse-axial tubular geometry and inhibited sarcoplasmic reticulum. Plos Computational Biology. 6: e1000972. PMID 21060856 DOI: 10.1371/journal.pcbi.1000972  0.96
2010 Perryman AL, Forli S, Morris GM, Burt C, Cheng Y, Palmer MJ, Whitby K, McCammon JA, Phillips C, Olson AJ. A dynamic model of HIV integrase inhibition and drug resistance. Journal of Molecular Biology. 397: 600-15. PMID 20096702 DOI: 10.1016/j.jmb.2010.01.033  0.6
2009 Lu S, Michailova A, Saucerman J, Cheng Y, Yu Z, Kaiser T, Li W, Bank R, Holst M, McCammon J, Hayashi T, Hoshijima M, Arzberger P, McCulloch A. Multiscale modeling in rodent ventricular myocytes. Ieee Engineering in Medicine and Biology Magazine : the Quarterly Magazine of the Engineering in Medicine & Biology Society. 28: 46-57. PMID 19349251 DOI: 10.1109/MEMB.2009.931787  0.96
2009 Cheng Y, Holst MJ, McCammon JA. Finite element analysis of drug electrostatic diffusion: inhibition rate studies in N1 neuraminidase. Pacific Symposium On Biocomputing. Pacific Symposium On Biocomputing. 281-92. PMID 19209708  0.96
2009 Agrawal A, de Oliveira CA, Cheng Y, Jacobsen JA, McCammon JA, Cohen SM. Thioamide hydroxypyrothiones supersede amide hydroxypyrothiones in potency against anthrax lethal factor. Journal of Medicinal Chemistry. 52: 1063-74. PMID 19170530 DOI: 10.1021/jm8013212  0.96
2008 Cheng Y, Chang CE, Yu Z, Zhang Y, Sun M, Leyh TS, Holst MJ, McCammon JA. Diffusional channeling in the sulfate-activating complex: combined continuum modeling and coarse-grained brownian dynamics studies. Biophysical Journal. 95: 4659-67. PMID 18689458 DOI: 10.1529/biophysj.108.140038  0.96
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  0.96
2008 Yu Z, Holst MJ, Cheng Y, McCammon JA. Feature-preserving adaptive mesh generation for molecular shape modeling and simulation. Journal of Molecular Graphics & Modelling. 26: 1370-80. PMID 18337134 DOI: 10.1016/j.jmgm.2008.01.007  0.96
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  0.96
2007 Cheng Y, Suen JK, Zhang D, Bond SD, Zhang Y, Song Y, Baker NA, Bajaj CL, Holst MJ, McCammon JA. Finite element analysis of the time-dependent Smoluchowski equation for acetylcholinesterase reaction rate calculations. Biophysical Journal. 92: 3397-406. PMID 17307827 DOI: 10.1529/biophysj.106.102533  0.96
2007 Cheng Y, Suen JK, Radić Z, Bond SD, Holst MJ, McCammon JA. Continuum simulations of acetylcholine diffusion with reaction-determined boundaries in neuromuscular junction models. Biophysical Chemistry. 127: 129-39. PMID 17307283 DOI: 10.1016/j.bpc.2007.01.003  0.96
2006 Senapati S, Cheng Y, McCammon JA. In-situ synthesis of a tacrine-triazole-based inhibitor of acetylcholinesterase: configurational selection imposed by steric interactions. Journal of Medicinal Chemistry. 49: 6222-30. PMID 17034128 DOI: 10.1021/jm051132b  0.6
2006 Cheng Y, Zhang Y, McCammon JA. How does activation loop phosphorylation modulate catalytic activity in the cAMP-dependent protein kinase: a theoretical study. Protein Science : a Publication of the Protein Society. 15: 672-83. PMID 16522793 DOI: 10.1110/ps.051852306  0.6
2005 Cheng Y, Zhang Y, McCammon JA. How does the cAMP-dependent protein kinase catalyze the phosphorylation reaction: an ab initio QM/MM study. Journal of the American Chemical Society. 127: 1553-62. PMID 15686389 DOI: 10.1021/ja0464084  0.6
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