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Chatfield, David C., Brooks, Bernard R. (1995) HIV-1 Protease Cleavage Mechanism Elucidated with Molecular Dynamics Simulation. Journal Of The American Chemical Society, 117 (20) 5561-5572 doi:10.1021/ja00125a018

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Reference TypeJournal (article/letter/editorial)
TitleHIV-1 Protease Cleavage Mechanism Elucidated with Molecular Dynamics Simulation
JournalJournal Of The American Chemical Society
AuthorsChatfield, David C.Author
Brooks, Bernard R.Author
Year1995 (May)Volume117
Issue20
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/ja00125a018Search in ResearchGate
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Mindat Ref. ID1490809Long-form Identifiermindat:1:5:1490809:5
GUID0
Full ReferenceChatfield, David C., Brooks, Bernard R. (1995) HIV-1 Protease Cleavage Mechanism Elucidated with Molecular Dynamics Simulation. Journal Of The American Chemical Society, 117 (20) 5561-5572 doi:10.1021/ja00125a018
Plain TextChatfield, David C., Brooks, Bernard R. (1995) HIV-1 Protease Cleavage Mechanism Elucidated with Molecular Dynamics Simulation. Journal Of The American Chemical Society, 117 (20) 5561-5572 doi:10.1021/ja00125a018
In(1995, May) Journal Of The American Chemical Society Vol. 117 (20) American Chemical Society (ACS)

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Chatfield, David C, P. Eurenius, Kirsten, Brooks, Bernard R (1998) HIV-1 protease cleavage mechanism: A theoretical investigation based on classical MD simulation and reaction path calculations using a hybrid QM/MM potential. Journal of Molecular Structure: THEOCHEM, 423. 79-92 doi:10.1016/s0166-1280(96)04875-0
Chatfield, David C., Szabo, Attila, Brooks, Bernard R. (1998) Molecular Dynamics of Staphylococcal Nuclease:  Comparison of Simulation with15N and13C NMR Relaxation Data. Journal Of The American Chemical Society, 120 (21) 5301-5311 doi:10.1021/ja972215n
Harte, William E., Beveridge, David L. (1993) Mechanism for the destabilization of the dimer interface in a mutant HIV-1 protease: a molecular dynamics study. Journal Of The American Chemical Society, 115 (4) 1231-1234 doi:10.1021/ja00057a003
Swaminathan, S., Harte, W. E., Beveridge, David L. (1991) Investigation of domain structure in proteins via molecular dynamics simulation: application to HIV-1 protease dimer. Journal Of The American Chemical Society, 113 (7) 2717-2721 doi:10.1021/ja00007a054
Harte, William E., Beveridge, David L. (1993) Prediction of the protonation state of the active site aspartyl residues in HIV-1 protease-inhibitor complexes via molecular dynamics simulation. Journal Of The American Chemical Society, 115 (10) 3883-3886 doi:10.1021/ja00063a005
Piana, Stefano, Sebastiani, Daniel, Carloni, Paolo, Parrinello, Michele (2001) Ab Initio Molecular Dynamics-Based Assignment of the Protonation State of Pepstatin A/HIV-1 Protease Cleavage Site. Journal Of The American Chemical Society, 123 (36) 8730-8737 doi:10.1021/ja003145e
Bassolino-Klimas, Donna, Alper, Howard E., Stouch, Terry R. (1995) Mechanism of Solute Diffusion through Lipid Bilayer Membranes by Molecular Dynamics Simulation. Journal Of The American Chemical Society, 117 (14) 4118-4129 doi:10.1021/ja00119a028
Ding, Fangyu, Layten, Melinda, Simmerling, Carlos (2008) Solution Structure of HIV-1 Protease Flaps Probed by Comparison of Molecular Dynamics Simulation Ensembles and EPR Experiments. Journal Of The American Chemical Society, 130 (23) 7184-7185 doi:10.1021/ja800893d
Das, Debananda, Eurenius, Kirsten P., Billings, Eric M., Sherwood, Paul, Chatfield, David C., Hodošček, Milan, Brooks, Bernard R. (2002) Optimization of quantum mechanical molecular mechanical partitioning schemes: Gaussian delocalization of molecular mechanical charges and the double link atom method. The Journal of Chemical Physics, 117 (23). 10534-10547 doi:10.1063/1.1520134
Simonson, Thomas, Perahia, David (1995) Microscopic Dielectric Properties of Cytochrome c from Molecular Dynamics Simulations in Aqueous Solution. Journal Of The American Chemical Society, 117 (30) 7987-8000 doi:10.1021/ja00135a018
Feller, Scott E., Zhang, Yuhong, Pastor, Richard W., Brooks, Bernard R. (1995) Constant pressure molecular dynamics simulation: The Langevin piston method. The Journal of Chemical Physics, 103 (11). 4613-4621 doi:10.1063/1.470648
 
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