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

Alexander D Mackerell

Showing results (161-170 of 402) with videos related to

Pageof 41
Sort By:
Biophysical Journal|November 6, 2007
Is arginine charged in a membrane?Libo Li, Igor Vorobyov, Alexander D MacKerell, et al.
Methods in Molecular Biology (Clifton, N.J.)|March 11, 2015
Molecular dynamics simulations of glycoproteins using CHARMMSairam S Mallajosyula, Sunhwan Jo, Wonpil Im, et al.
Molecular Pharmaceutics|April 5, 2023
Site Identification by Ligand Competitive Saturation-Biologics Approach for Structure-Based Protein Charge PredictionAsuka A Orr, Aoxiang Tao, Olgun Guvench, et al.
Journal of Chemical Information and Modeling|December 19, 2025
Computational Modeling of PROTAC Ternary Complexes as Ensembles Using SILCS-xTACErik B Nordquist, Mingtian Zhao, Wenbo Yu, et al.
The Journal of Physical Chemistry. B|November 2, 2016
Conformational Heterogeneity of Intracellular Loop 3 of the μ-opioid G-protein Coupled ReceptorJing Huang, Sirish Kaushik Lakkaraju, Andrew Coop, et al.
Journal of Chemical Information and Modeling|September 16, 2024
Combined Physics- and Machine-Learning-Based Method to Identify Druggable Binding Sites Using SILCS-HotspotsErik B Nordquist, Mingtian Zhao, Anmol Kumar, et al.
Journal of Chemical Theory and Computation|February 28, 2019
Toward Prediction of Electrostatic Parameters for Force Fields That Explicitly Treat Electronic PolarizationEsther Heid, Markus Fleck, Payal Chatterjee, et al.
Journal of Chemical Theory and Computation|August 15, 2019
Drude Polarizable Force Field Parametrization of Carboxylate and <i>N</i>-Acetyl Amine Carbohydrate DerivativesPoonam Pandey, Asaminew H Aytenfisu, Alexander D MacKerell, et al.
Plos Computational Biology|June 21, 2013
Impact of ribosomal modification on the binding of the antibiotic telithromycin using a combined grand canonical monte carlo/molecular dynamics simulation approachMeagan C Small, Pedro Lopes, Rodrigo B Andrade, et al.
Journal of Computational Chemistry|May 5, 2018
Molecular dynamics simulations using the drude polarizable force field on GPUs with OpenMM: Implementation, validation, and benchmarksJing Huang, Justin A Lemkul, Peter K Eastman, et al.
Pageof 41

Showing results (161-170 of 402) with videos related to

Sort By:
Pageof 41
Biophysical Journal|November 6, 2007
Is arginine charged in a membrane?Libo Li, Igor Vorobyov, Alexander D MacKerell, et al.
Methods in Molecular Biology (Clifton, N.J.)|March 11, 2015
Molecular dynamics simulations of glycoproteins using CHARMMSairam S Mallajosyula, Sunhwan Jo, Wonpil Im, et al.
Molecular Pharmaceutics|April 5, 2023
Site Identification by Ligand Competitive Saturation-Biologics Approach for Structure-Based Protein Charge PredictionAsuka A Orr, Aoxiang Tao, Olgun Guvench, et al.
Journal of Chemical Information and Modeling|December 19, 2025
Computational Modeling of PROTAC Ternary Complexes as Ensembles Using SILCS-xTACErik B Nordquist, Mingtian Zhao, Wenbo Yu, et al.
The Journal of Physical Chemistry. B|November 2, 2016
Conformational Heterogeneity of Intracellular Loop 3 of the μ-opioid G-protein Coupled ReceptorJing Huang, Sirish Kaushik Lakkaraju, Andrew Coop, et al.
Journal of Chemical Information and Modeling|September 16, 2024
Combined Physics- and Machine-Learning-Based Method to Identify Druggable Binding Sites Using SILCS-HotspotsErik B Nordquist, Mingtian Zhao, Anmol Kumar, et al.
Journal of Chemical Theory and Computation|February 28, 2019
Toward Prediction of Electrostatic Parameters for Force Fields That Explicitly Treat Electronic PolarizationEsther Heid, Markus Fleck, Payal Chatterjee, et al.
Journal of Chemical Theory and Computation|August 15, 2019
Drude Polarizable Force Field Parametrization of Carboxylate and <i>N</i>-Acetyl Amine Carbohydrate DerivativesPoonam Pandey, Asaminew H Aytenfisu, Alexander D MacKerell, et al.
Plos Computational Biology|June 21, 2013
Impact of ribosomal modification on the binding of the antibiotic telithromycin using a combined grand canonical monte carlo/molecular dynamics simulation approachMeagan C Small, Pedro Lopes, Rodrigo B Andrade, et al.
Journal of Computational Chemistry|May 5, 2018
Molecular dynamics simulations using the drude polarizable force field on GPUs with OpenMM: Implementation, validation, and benchmarksJing Huang, Justin A Lemkul, Peter K Eastman, et al.
Pageof 41