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 (81-90 of 107) with videos related to

Pageof 11
Sort By:
ACS Chemical Biology|February 18, 2014
A structural and energetic model for the slow-onset inhibition of the Mycobacterium tuberculosis enoyl-ACP reductase InhAHuei-Jiun Li, Cheng-Tsung Lai, Pan Pan, et al.
Journal of Chemical Theory and Computation|August 16, 2024
phosaa14SB and phosaa19SB: Updated Amber Force Field Parameters for Phosphorylated Amino AcidsLauren E Raguette, Abbigayle E Cuomo, Kellon A A Belfon, et al.
Biochemistry|July 7, 2015
Rational Modulation of the Induced-Fit Conformational Change for Slow-Onset Inhibition in Mycobacterium tuberculosis InhACheng-Tsung Lai, Huei-Jiun Li, Weixuan Yu, et al.
The Journal of Physical Chemistry. B|August 7, 2024
Adjusting the Energy Profile for CH-O Interactions Leads to Improved Stability of RNA Stem-Loop Structures in MD SimulationsLauren E Raguette, Sarah S Gunasekera, Rebeca I Diaz Ventura, et al.
Journal of Molecular Biology|February 15, 2025
InSty: A ProDy Module for Evaluating Protein Interactions and StabilityKarolina Mikulska-Ruminska, James M Krieger, Anupam Banerjee, et al.
Journal of Chemical Theory and Computation|May 24, 2021
Scaffold Hopping Transformations Using Auxiliary Restraints for Calculating Accurate Relative Binding Free EnergiesJunjie Zou, Zhipeng Li, Shuai Liu, et al.
Journal of Computational Chemistry|October 4, 2005
The Amber biomolecular simulation programsDavid A Case, Thomas E Cheatham, Tom Darden, et al.
Journal of Chemical Theory and Computation|November 13, 2019
ff19SB: Amino-Acid-Specific Protein Backbone Parameters Trained against Quantum Mechanics Energy Surfaces in SolutionChuan Tian, Koushik Kasavajhala, Kellon A A Belfon, et al.
Biorxiv : the Preprint Server for Biology|December 11, 2023
MHC-Fine: Fine-tuned AlphaFold for Precise MHC-Peptide Complex PredictionErnest Glukhov, Dmytro Kalitin, Darya Stepanenko, et al.
Nucleic Acids Research|December 19, 2014
Active destabilization of base pairs by a DNA glycosylase wedge initiates damage recognitionNikita A Kuznetsov, Christina Bergonzo, Arthur J Campbell, et al.
Pageof 11

Showing results (81-90 of 107) with videos related to

Sort By:
Pageof 11
ACS Chemical Biology|February 18, 2014
A structural and energetic model for the slow-onset inhibition of the Mycobacterium tuberculosis enoyl-ACP reductase InhAHuei-Jiun Li, Cheng-Tsung Lai, Pan Pan, et al.
Journal of Chemical Theory and Computation|August 16, 2024
phosaa14SB and phosaa19SB: Updated Amber Force Field Parameters for Phosphorylated Amino AcidsLauren E Raguette, Abbigayle E Cuomo, Kellon A A Belfon, et al.
Biochemistry|July 7, 2015
Rational Modulation of the Induced-Fit Conformational Change for Slow-Onset Inhibition in Mycobacterium tuberculosis InhACheng-Tsung Lai, Huei-Jiun Li, Weixuan Yu, et al.
The Journal of Physical Chemistry. B|August 7, 2024
Adjusting the Energy Profile for CH-O Interactions Leads to Improved Stability of RNA Stem-Loop Structures in MD SimulationsLauren E Raguette, Sarah S Gunasekera, Rebeca I Diaz Ventura, et al.
Journal of Molecular Biology|February 15, 2025
InSty: A ProDy Module for Evaluating Protein Interactions and StabilityKarolina Mikulska-Ruminska, James M Krieger, Anupam Banerjee, et al.
Journal of Chemical Theory and Computation|May 24, 2021
Scaffold Hopping Transformations Using Auxiliary Restraints for Calculating Accurate Relative Binding Free EnergiesJunjie Zou, Zhipeng Li, Shuai Liu, et al.
Journal of Computational Chemistry|October 4, 2005
The Amber biomolecular simulation programsDavid A Case, Thomas E Cheatham, Tom Darden, et al.
Journal of Chemical Theory and Computation|November 13, 2019
ff19SB: Amino-Acid-Specific Protein Backbone Parameters Trained against Quantum Mechanics Energy Surfaces in SolutionChuan Tian, Koushik Kasavajhala, Kellon A A Belfon, et al.
Biorxiv : the Preprint Server for Biology|December 11, 2023
MHC-Fine: Fine-tuned AlphaFold for Precise MHC-Peptide Complex PredictionErnest Glukhov, Dmytro Kalitin, Darya Stepanenko, et al.
Nucleic Acids Research|December 19, 2014
Active destabilization of base pairs by a DNA glycosylase wedge initiates damage recognitionNikita A Kuznetsov, Christina Bergonzo, Arthur J Campbell, et al.
Pageof 11