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Albert C. Pan, Ph.D. - Publications

Affiliations: 
2005 University of California, Berkeley, Berkeley, CA, United States 
Area:
statistical mechanics
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32 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
2019 Pan AC, Jacobson D, Yatsenko K, Sritharan D, Weinreich TM, Shaw DE. Atomic-level characterization of protein-protein association. Proceedings of the National Academy of Sciences of the United States of America. PMID 30760596 DOI: 10.1073/Pnas.1815431116  0.319
2018 Bokoch MP, Jo H, Valcourt JR, Srinivasan Y, Pan AC, Capponi S, Grabe M, Dror RO, Shaw DE, DeGrado WF, Coughlin SR. Entry from the lipid bilayer: a possible pathway for inhibition of a peptide G protein-coupled receptor by a lipophilic small molecule. Biochemistry. PMID 30102523 DOI: 10.1021/Acs.Biochem.8B00577  0.343
2017 Pan AC, Xu H, Palpant T, Shaw DE. Quantitative characterization of the binding and unbinding of millimolar drug fragments with molecular dynamics simulations. Journal of Chemical Theory and Computation. PMID 28582625 DOI: 10.1021/Acs.Jctc.7B00172  0.332
2016 Guo D, Pan AC, Dror RO, Mocking T, Liu R, Heitman L, Shaw DE, IJzerman AP. Molecular basis of ligand dissociation from the adenosine A2A receptor. Molecular Pharmacology. PMID 26873858 DOI: 10.1124/Mol.115.102657  0.35
2016 Pan AC, Weinreich TM, Piana S, Shaw DE. Demonstrating an order-of-magnitude sampling enhancement in molecular dynamics simulations of complex protein systems. Journal of Chemical Theory and Computation. PMID 26866996 DOI: 10.1021/Acs.Jctc.5B00913  0.375
2015 Pan AC, Weinreich TM, Piana S, Shaw DE. Using Long-Timescale Molecular Dynamics Simulations to Benchmark Enhanced Sampling Methods Biophysical Journal. 108: 183a. DOI: 10.1016/J.Bpj.2014.11.1014  0.394
2014 Pan AC, Weinreich TM, Shan Y, Scarpazza DP, Shaw DE. Assessing the Accuracy of Two Enhanced Sampling Methods Using EGFR Kinase Transition Pathways: The Influence of Collective Variable Choice. Journal of Chemical Theory and Computation. 10: 2860-5. PMID 26586510 DOI: 10.1021/Ct500223P  0.413
2014 Dror RO, Green HF, Valant C, Borhani DW, Valcourt JR, Pan AC, Arlow DH, Canals M, Lane JR, Rahmani R, Baell JB, Sexton PM, Christopoulos A, Shaw DE. Structural Basis for Modulation of a GPCR by Allosteric Drugs Biophysical Journal. 106: 100a. DOI: 10.1016/J.Bpj.2013.11.626  0.323
2013 Dror RO, Green HF, Valant C, Borhani DW, Valcourt JR, Pan AC, Arlow DH, Canals M, Lane JR, Rahmani R, Baell JB, Sexton PM, Christopoulos A, Shaw DE. Structural basis for modulation of a G-protein-coupled receptor by allosteric drugs. Nature. 503: 295-9. PMID 24121438 DOI: 10.1038/Nature12595  0.323
2013 Ostmeyer J, Chakrapani S, Pan AC, Perozo E, Roux B. Recovery from slow inactivation in K+ channels is controlled by water molecules. Nature. 501: 121-4. PMID 23892782 DOI: 10.1038/Nature12395  0.316
2013 Eastwood MP, Chitra T, Jumper JM, Palmo K, Pan AC, Shaw DE. Rotational relaxation in ortho-terphenyl: using atomistic simulations to bridge theory and experiment. The Journal of Physical Chemistry. B. 117: 12898-907. PMID 23841719 DOI: 10.1021/Jp402102W  0.379
2013 Shan Y, Arkhipov A, Kim ET, Pan AC, Shaw DE. Transitions to catalytically inactive conformations in EGFR kinase. Proceedings of the National Academy of Sciences of the United States of America. 110: 7270-5. PMID 23576739 DOI: 10.1073/Pnas.1220843110  0.358
2013 Pan AC, Borhani DW, Dror RO, Shaw DE. Molecular determinants of drug-receptor binding kinetics. Drug Discovery Today. 18: 667-73. PMID 23454741 DOI: 10.1016/J.Drudis.2013.02.007  0.301
2013 Nygaard R, Zou Y, Dror RO, Mildorf TJ, Arlow DH, Manglik A, Pan AC, Liu CW, Fung JJ, Bokoch MP, Thian FS, Kobilka TS, Shaw DE, Mueller L, Prosser RS, et al. The dynamic process of β(2)-adrenergic receptor activation. Cell. 152: 532-42. PMID 23374348 DOI: 10.1016/J.Cell.2013.01.008  0.352
2012 Raghuraman H, Cordero-Morales JF, Jogini V, Pan AC, Kollewe A, Roux B, Perozo E. Mechanism of Cd2+ coordination during slow inactivation in potassium channels. Structure (London, England : 1993). 20: 1332-42. PMID 22771214 DOI: 10.1016/J.Str.2012.03.027  0.325
2012 Kruse AC, Hu J, Pan AC, Arlow DH, Rosenbaum DM, Rosemond E, Green HF, Liu T, Chae PS, Dror RO, Shaw DE, Weis WI, Wess J, Kobilka BK. Structure and dynamics of the M3 muscarinic acetylcholine receptor. Nature. 482: 552-6. PMID 22358844 DOI: 10.1038/Nature10867  0.327
2011 Pan AC, Cuello LG, Perozo E, Roux B. Thermodynamic coupling between activation and inactivation gating in potassium channels revealed by free energy molecular dynamics simulations. The Journal of General Physiology. 138: 571-80. PMID 22124115 DOI: 10.1085/Jgp.201110670  0.386
2011 Dror RO, Arlow DH, Maragakis P, Mildorf TJ, Pan AC, Xu H, Borhani DW, Shaw DE. Activation mechanism of the β2-adrenergic receptor. Proceedings of the National Academy of Sciences of the United States of America. 108: 18684-9. PMID 22031696 DOI: 10.1073/Pnas.1110499108  0.345
2011 Dror RO, Pan AC, Arlow DH, Borhani DW, Maragakis P, Shan Y, Xu H, Shaw DE. Pathway and mechanism of drug binding to G-protein-coupled receptors. Proceedings of the National Academy of Sciences of the United States of America. 108: 13118-23. PMID 21778406 DOI: 10.1016/J.Bpj.2011.11.2241  0.32
2010 Cuello LG, Jogini V, Cortes DM, Pan AC, Gagnon DG, Dalmas O, Cordero-Morales JF, Chakrapani S, Roux B, Perozo E. Structural basis for the coupling between activation and inactivation gates in K(+) channels. Nature. 466: 272-5. PMID 20613845 DOI: 10.1038/Nature09136  0.336
2010 Pan AC, Chakrapani S, Jogini V, Cuello LG, Cortes DM, Perozo E, Roux B. The Importance of Ion Binding for Potassium Channel Inactivation and Recovery Biophysical Journal. 98: 621a. DOI: 10.1016/J.Bpj.2009.12.3400  0.323
2009 Kondrashov DA, Pan AC, Roux B. Transition Pathway Calculation Using Interpolated Parameters From Swarms Of Trajectories Biophysical Journal. 96: 573a. DOI: 10.1016/J.Bpj.2008.12.3751  0.346
2009 Pan AC, Jogini V, Cuello LG, Cortes D, Perozo E, Roux B. Free Energy Landscape for the Inactivation of the KcsA Potassium Channel Biophysical Journal. 96: 657a. DOI: 10.1016/J.Bpj.2008.12.3469  0.331
2009 Cuello LG, Jogini V, Cortes DM, Pan AC, Gagnon DG, Cordero-Morales JF, Chakrapani S, Roux B, Perozo E. Structural Basis For The Coupling Between Activation And Inactivation Gating In Potassium Channels Biophysical Journal. 96: 381a. DOI: 10.1016/J.Bpj.2008.12.2852  0.31
2008 Pan AC, Roux B. Building Markov state models along pathways to determine free energies and rates of transitions. The Journal of Chemical Physics. 129: 064107. PMID 18715051 DOI: 10.1063/1.2959573  0.331
2008 Pan AC, Sezer D, Roux B. Finding transition pathways using the string method with swarms of trajectories. The Journal of Physical Chemistry. B. 112: 3432-40. PMID 18290641 DOI: 10.1021/Jp0777059  0.352
2006 Chandler D, Garrahan JP, Jack RL, Maibaum L, Pan AC. Lengthscale dependence of dynamic four-point susceptibilities in glass formers. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 74: 051501. PMID 17279911 DOI: 10.1103/Physreve.74.051501  0.602
2006 Pan AC, Rappl TJ, Chandler D, Balsara NP. Neutron scattering and monte carlo determination of the variation of the critical nucleus size with quench depth. The Journal of Physical Chemistry. B. 110: 3692-6. PMID 16494425 DOI: 10.1021/Jp055239M  0.443
2005 Pan AC, Garrahan JP, Chandler D. Heterogeneity and growing length scales in the dynamics of kinetically constrained lattice gases in two dimensions. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 72: 041106. PMID 16383361 DOI: 10.1103/Physreve.72.041106  0.522
2005 Pan AC. Rotational correlation and dynamic heterogeneity in a kinetically constrained lattice gas. The Journal of Chemical Physics. 123: 164501. PMID 16268706 DOI: 10.1063/1.2075087  0.377
2005 Pan AC, Garrahan JP, Chandler D. Decoupling of self-diffusion and structural relaxation during a fragile-to-strong crossover in a kinetically constrained lattice gas. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 6: 1783-5. PMID 16013078 DOI: 10.1002/Cphc.200400610  0.471
2004 Pan AC, Chandler D. Dynamics of nucleation in the ising model Journal of Physical Chemistry B. 108: 19681-19686. DOI: 10.1021/Jp0471249  0.532
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