Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Filters

Carlos Simmerling

Showing results (31-40 of 107) with videos related to

Pageof 11
Sort By:
Journal of Chemical Theory and Computation|December 3, 2015
Investigation of Salt Bridge Stability in a Generalized Born Solvent ModelRaphaël Geney, Melinda Layten, Roberto Gomperts, et al.
Current Opinion in Structural Biology|January 17, 2016
Advances in free-energy-based simulations of protein folding and ligand bindingAlberto Perez, Joseph A Morrone, Carlos Simmerling, et al.
International Journal of Computational Geometry & Applications|March 12, 2019
LAGUERRE-INTERSECTION METHOD FOR IMPLICIT SOLVATIONMichelle Hatch Hummel, Bihua Yu, Carlos Simmerling, et al.
Journal of Molecular Graphics & Modelling|December 21, 2010
Improving the description of salt bridge strength and geometry in a Generalized Born modelYi Shang, Hai Nguyen, Lauren Wickstrom, et al.
Journal of the American Chemical Society|September 26, 2014
Folding simulations for proteins with diverse topologies are accessible in days with a physics-based force field and implicit solventHai Nguyen, James Maier, He Huang, et al.
International Journal of Quantum Chemistry|February 12, 2010
A Partial Nudged Elastic Band Implementation for Use with Large or Explicitly Solvated SystemsChristina Bergonzo, Arthur J Campbell, Ross C Walker, et al.
Journal of Chemical Information and Modeling|March 14, 2017
Characterization of Biomolecular Helices and Their Complementarity Using Geometric AnalysisKevin Hauser, Yiqing He, Miguel Garcia-Diaz, et al.
The Journal of Physical Chemistry. B|January 30, 2007
Secondary structure bias in generalized Born solvent models: comparison of conformational ensembles and free energy of solvent polarization from explicit and implicit solvationDaniel R Roe, Asim Okur, Lauren Wickstrom, et al.
Protein Science : a Publication of the Protein Society|December 9, 2022
On the plasticity of amyloid formation: The impact of destabilizing small to large substitutions on islet amyloid polypeptide amyloid formationLakshan Manathunga, Rehana Akter, Alexander Zhyvoloup, et al.
Biochemistry|March 7, 2007
Reconciling the solution and X-ray structures of the villin headpiece helical subdomain: molecular dynamics simulations and double mutant cycles reveal a stabilizing cation-pi interactionLauren Wickstrom, Yuan Bi, Viktor Hornak, et al.
Pageof 11

Showing results (31-40 of 107) with videos related to

Sort By:
Pageof 11
Journal of Chemical Theory and Computation|December 3, 2015
Investigation of Salt Bridge Stability in a Generalized Born Solvent ModelRaphaël Geney, Melinda Layten, Roberto Gomperts, et al.
Current Opinion in Structural Biology|January 17, 2016
Advances in free-energy-based simulations of protein folding and ligand bindingAlberto Perez, Joseph A Morrone, Carlos Simmerling, et al.
International Journal of Computational Geometry & Applications|March 12, 2019
LAGUERRE-INTERSECTION METHOD FOR IMPLICIT SOLVATIONMichelle Hatch Hummel, Bihua Yu, Carlos Simmerling, et al.
Journal of Molecular Graphics & Modelling|December 21, 2010
Improving the description of salt bridge strength and geometry in a Generalized Born modelYi Shang, Hai Nguyen, Lauren Wickstrom, et al.
Journal of the American Chemical Society|September 26, 2014
Folding simulations for proteins with diverse topologies are accessible in days with a physics-based force field and implicit solventHai Nguyen, James Maier, He Huang, et al.
International Journal of Quantum Chemistry|February 12, 2010
A Partial Nudged Elastic Band Implementation for Use with Large or Explicitly Solvated SystemsChristina Bergonzo, Arthur J Campbell, Ross C Walker, et al.
Journal of Chemical Information and Modeling|March 14, 2017
Characterization of Biomolecular Helices and Their Complementarity Using Geometric AnalysisKevin Hauser, Yiqing He, Miguel Garcia-Diaz, et al.
The Journal of Physical Chemistry. B|January 30, 2007
Secondary structure bias in generalized Born solvent models: comparison of conformational ensembles and free energy of solvent polarization from explicit and implicit solvationDaniel R Roe, Asim Okur, Lauren Wickstrom, et al.
Protein Science : a Publication of the Protein Society|December 9, 2022
On the plasticity of amyloid formation: The impact of destabilizing small to large substitutions on islet amyloid polypeptide amyloid formationLakshan Manathunga, Rehana Akter, Alexander Zhyvoloup, et al.
Biochemistry|March 7, 2007
Reconciling the solution and X-ray structures of the villin headpiece helical subdomain: molecular dynamics simulations and double mutant cycles reveal a stabilizing cation-pi interactionLauren Wickstrom, Yuan Bi, Viktor Hornak, et al.
Pageof 11