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Carlos Simmerling

Showing results (1-10 of 107) with videos related to

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Journal of Chemical Theory and Computation|March 2, 2023
Exploring the Transferability of Replica Exchange Structure Reservoirs to Accelerate Generation of Ensembles for Alternate Hamiltonians or Protein MutationsKoushik Kasavajhala, Carlos Simmerling
Journal of Molecular Graphics & Modelling|April 22, 2004
Development of softcore potential functions for overcoming steric barriers in molecular dynamics simulationsViktor Hornak, Carlos Simmerling
Journal of Chemical Theory and Computation|October 11, 2018
Fast Pairwise Approximation of Solvent Accessible Surface Area for Implicit Solvent Simulations of Proteins on CPUs and GPUsHe Huang, Carlos Simmerling
Methods in Molecular Biology (Clifton, N.J.)|December 21, 2011
Molecular dynamics applied in drug discovery: the case of HIV-1 proteaseYi Shang, Carlos Simmerling
Proteins|June 5, 2003
Generation of accurate protein loop conformations through low-barrier molecular dynamicsViktor Hornak, Carlos Simmerling
Drug Discovery Today|February 6, 2007
Targeting structural flexibility in HIV-1 protease inhibitor bindingViktor Hornak, Carlos Simmerling
Journal of the American Chemical Society|October 10, 2002
Conformational heterogeneity observed in simulations of a pyrene-substituted DNAGuanglei Cui, Carlos Simmerling
Biophysical Journal|August 5, 2009
Evaluating the performance of the ff99SB force field based on NMR scalar coupling dataLauren Wickstrom, Asim Okur, Carlos Simmerling
Journal of Chemical Theory and Computation|November 3, 2020
Exploring Protocols to Build Reservoirs to Accelerate Temperature Replica Exchange MD SimulationsKoushik Kasavajhala, Kenneth Lam, Carlos Simmerling
Science (New York, N.Y.)|November 27, 2020
Protein storytelling through physicsEmiliano Brini, Carlos Simmerling, Ken Dill
Pageof 11

Showing results (1-10 of 107) with videos related to

Sort By:
Pageof 11
Journal of Chemical Theory and Computation|March 2, 2023
Exploring the Transferability of Replica Exchange Structure Reservoirs to Accelerate Generation of Ensembles for Alternate Hamiltonians or Protein MutationsKoushik Kasavajhala, Carlos Simmerling
Journal of Molecular Graphics & Modelling|April 22, 2004
Development of softcore potential functions for overcoming steric barriers in molecular dynamics simulationsViktor Hornak, Carlos Simmerling
Journal of Chemical Theory and Computation|October 11, 2018
Fast Pairwise Approximation of Solvent Accessible Surface Area for Implicit Solvent Simulations of Proteins on CPUs and GPUsHe Huang, Carlos Simmerling
Methods in Molecular Biology (Clifton, N.J.)|December 21, 2011
Molecular dynamics applied in drug discovery: the case of HIV-1 proteaseYi Shang, Carlos Simmerling
Proteins|June 5, 2003
Generation of accurate protein loop conformations through low-barrier molecular dynamicsViktor Hornak, Carlos Simmerling
Drug Discovery Today|February 6, 2007
Targeting structural flexibility in HIV-1 protease inhibitor bindingViktor Hornak, Carlos Simmerling
Journal of the American Chemical Society|October 10, 2002
Conformational heterogeneity observed in simulations of a pyrene-substituted DNAGuanglei Cui, Carlos Simmerling
Biophysical Journal|August 5, 2009
Evaluating the performance of the ff99SB force field based on NMR scalar coupling dataLauren Wickstrom, Asim Okur, Carlos Simmerling
Journal of Chemical Theory and Computation|November 3, 2020
Exploring Protocols to Build Reservoirs to Accelerate Temperature Replica Exchange MD SimulationsKoushik Kasavajhala, Kenneth Lam, Carlos Simmerling
Science (New York, N.Y.)|November 27, 2020
Protein storytelling through physicsEmiliano Brini, Carlos Simmerling, Ken Dill
Pageof 11