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Carlos Simmerling

Showing results (21-30 of 107) with videos related to

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Journal of Molecular Biology|August 13, 2005
Folding cooperativity in a three-stranded beta-sheet modelDaniel R Roe, Viktor Hornak, Carlos Simmerling
Journal of Chemical Theory and Computation|March 20, 2015
Improved Generalized Born Solvent Model Parameters for Protein SimulationsHai Nguyen, Daniel R Roe, Carlos Simmerling
Journal of Chemical Theory and Computation|May 3, 2022
Accelerating the Ensemble Convergence of RNA Hairpin Simulations with a Replica Exchange Structure ReservoirKenneth Lam, Koushik Kasavajhala, Sarah Gunasekera, et al.
The Journal of Physical Chemistry. B|July 21, 2006
Modified replica exchange simulation methods for local structure refinementXiaolin Cheng, Guanglei Cui, Viktor Hornak, et al.
Journal of Computational Chemistry|December 17, 2002
Using PC clusters to evaluate the transferability of molecular mechanics force fields for proteinsAsim Okur, Bentley Strockbine, Viktor Hornak, et al.
Journal of Chemical Theory and Computation|November 18, 2015
Refinement of Generalized Born Implicit Solvation Parameters for Nucleic Acids and Their Complexes with ProteinsHai Nguyen, Alberto Pérez, Sherry Bermeo, et al.
Journal of the American Chemical Society|December 10, 2016
Experimental and Computational Analysis of Protein Stabilization by Gly-to-d-Ala Substitution: A Convolution of Native State and Unfolded State EffectsJunjie Zou, Benben Song, Carlos Simmerling, et al.
Proceedings of the National Academy of Sciences of the United States of America|January 19, 2006
HIV-1 protease flaps spontaneously open and reclose in molecular dynamics simulationsViktor Hornak, Asim Okur, Robert C Rizzo, et al.
Journal of the American Chemical Society|March 2, 2006
HIV-1 protease flaps spontaneously close to the correct structure in simulations following manual placement of an inhibitor into the open stateViktor Hornak, Asim Okur, Robert C Rizzo, et al.
The Journal of Physical Chemistry. B|March 29, 2021
Quantitative Analysis of Protein Unfolded State Energetics: Experimental and Computational Studies Demonstrate That Non-Native Side-Chain Interactions Stabilize Local Native Backbone StructureJunjie Zou, Shifeng Xiao, Carlos Simmerling, et al.
Pageof 11

Showing results (21-30 of 107) with videos related to

Sort By:
Pageof 11
Journal of Molecular Biology|August 13, 2005
Folding cooperativity in a three-stranded beta-sheet modelDaniel R Roe, Viktor Hornak, Carlos Simmerling
Journal of Chemical Theory and Computation|March 20, 2015
Improved Generalized Born Solvent Model Parameters for Protein SimulationsHai Nguyen, Daniel R Roe, Carlos Simmerling
Journal of Chemical Theory and Computation|May 3, 2022
Accelerating the Ensemble Convergence of RNA Hairpin Simulations with a Replica Exchange Structure ReservoirKenneth Lam, Koushik Kasavajhala, Sarah Gunasekera, et al.
The Journal of Physical Chemistry. B|July 21, 2006
Modified replica exchange simulation methods for local structure refinementXiaolin Cheng, Guanglei Cui, Viktor Hornak, et al.
Journal of Computational Chemistry|December 17, 2002
Using PC clusters to evaluate the transferability of molecular mechanics force fields for proteinsAsim Okur, Bentley Strockbine, Viktor Hornak, et al.
Journal of Chemical Theory and Computation|November 18, 2015
Refinement of Generalized Born Implicit Solvation Parameters for Nucleic Acids and Their Complexes with ProteinsHai Nguyen, Alberto Pérez, Sherry Bermeo, et al.
Journal of the American Chemical Society|December 10, 2016
Experimental and Computational Analysis of Protein Stabilization by Gly-to-d-Ala Substitution: A Convolution of Native State and Unfolded State EffectsJunjie Zou, Benben Song, Carlos Simmerling, et al.
Proceedings of the National Academy of Sciences of the United States of America|January 19, 2006
HIV-1 protease flaps spontaneously open and reclose in molecular dynamics simulationsViktor Hornak, Asim Okur, Robert C Rizzo, et al.
Journal of the American Chemical Society|March 2, 2006
HIV-1 protease flaps spontaneously close to the correct structure in simulations following manual placement of an inhibitor into the open stateViktor Hornak, Asim Okur, Robert C Rizzo, et al.
The Journal of Physical Chemistry. B|March 29, 2021
Quantitative Analysis of Protein Unfolded State Energetics: Experimental and Computational Studies Demonstrate That Non-Native Side-Chain Interactions Stabilize Local Native Backbone StructureJunjie Zou, Shifeng Xiao, Carlos Simmerling, et al.
Pageof 11