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Deng, Nan-jie, Zheng, Weihua, Gallicchio, Emillio, Levy, Ronald M. (2011) Insights into the Dynamics of HIV-1 Protease: A Kinetic Network Model Constructed from Atomistic Simulations. Journal Of The American Chemical Society, 133 (24) 9387-9394 doi:10.1021/ja2008032

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Reference TypeJournal (article/letter/editorial)
TitleInsights into the Dynamics of HIV-1 Protease: A Kinetic Network Model Constructed from Atomistic Simulations
JournalJournal Of The American Chemical Society
AuthorsDeng, Nan-jieAuthor
Zheng, WeihuaAuthor
Gallicchio, EmillioAuthor
Levy, Ronald M.Author
Year2011 (June 22)Volume133
Issue24
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/ja2008032Search in ResearchGate
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Mindat Ref. ID1736100Long-form Identifiermindat:1:5:1736100:0
GUID0
Full ReferenceDeng, Nan-jie, Zheng, Weihua, Gallicchio, Emillio, Levy, Ronald M. (2011) Insights into the Dynamics of HIV-1 Protease: A Kinetic Network Model Constructed from Atomistic Simulations. Journal Of The American Chemical Society, 133 (24) 9387-9394 doi:10.1021/ja2008032
Plain TextDeng, Nan-jie, Zheng, Weihua, Gallicchio, Emillio, Levy, Ronald M. (2011) Insights into the Dynamics of HIV-1 Protease: A Kinetic Network Model Constructed from Atomistic Simulations. Journal Of The American Chemical Society, 133 (24) 9387-9394 doi:10.1021/ja2008032
In(2011, June) Journal Of The American Chemical Society Vol. 133 (24) American Chemical Society (ACS)

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Zheng, Weihua, Andrec, Michael, Gallicchio, Emilio, Levy, Ronald M. (2009) Recovering Kinetics from a Simplified Protein Folding Model Using Replica Exchange Simulations: A Kinetic Network and Effective Stochastic Dynamics. The Journal of Physical Chemistry B, 113 (34). 11702-11709 doi:10.1021/jp900445t
Zheng, Weihua, Gallicchio, Emilio, Deng, Nanjie, Andrec, Michael, Levy, Ronald M. (2011) Kinetic Network Study of the Diversity and Temperature Dependence of Trp-Cage Folding Pathways: Combining Transition Path Theory with Stochastic Simulations. The Journal of Physical Chemistry B, 115 (6). 1512-1523 doi:10.1021/jp1089596
Zheng, Weihua, Andrec, Michael, Gallicchio, Emilio, Levy, Ronald M. (2008) Simple Continuous and Discrete Models for Simulating Replica Exchange Simulations of Protein Folding†. The Journal of Physical Chemistry B, 112 (19). 6083-6093 doi:10.1021/jp076377+
Ravindranathan, Krishna Pratap, Gallicchio, Emilio, McDermott, Ann E., Levy, Ronald M. (2007) Conformational Dynamics of Substrate in the Active Site of Cytochrome P450 BM-3/NPG Complex:  Insights from NMR Order Parameters. Journal Of The American Chemical Society, 129 (3) 474-475 doi:10.1021/ja0672371
Zheng, W., Andrec, M., Gallicchio, E., Levy, R. M. (2007) Simulating replica exchange simulations of protein folding with a kinetic network model. Proceedings of the National Academy of Sciences, 104 (39) 15340-15345 doi:10.1073/pnas.0704418104
Pietrucci, Fabio, Marinelli, Fabrizio, Carloni, Paolo, Laio, Alessandro (2009) Substrate Binding Mechanism of HIV-1 Protease from Explicit-Solvent Atomistic Simulations. Journal Of The American Chemical Society, 131 (33) 11811-11818 doi:10.1021/ja903045y
Andrec, M., Felts, A. K., Gallicchio, E., Levy, R. M. (2005) Protein folding pathways from replica exchange simulations and a kinetic network model. Proceedings of the National Academy of Sciences, 102 (19) 6801-6806 doi:10.1073/pnas.0408970102
Lee, One-Sun, Stupp, Samuel I., Schatz, George C. (2011) Atomistic Molecular Dynamics Simulations of Peptide Amphiphile Self-Assembly into Cylindrical Nanofibers. Journal Of The American Chemical Society, 133 (10) 3677-3683 doi:10.1021/ja110966y
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Kipp, D. Randal, Silva, Rafael G., Schramm, Vern L. (2011) Mass-Dependent Bond Vibrational Dynamics Influence Catalysis by HIV-1 Protease. Journal Of The American Chemical Society, 133 (48) 19358-19361 doi:10.1021/ja209391n
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