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 (91-100 of 402) with videos related to

Pageof 41
Sort By:
The Journal of Physical Chemistry Letters|July 1, 2014
Induced Polarization Influences the Fundamental Forces in DNA Base FlippingJustin A Lemkul, Alexey Savelyev, Alexander D MacKerell
Journal of Chemical Theory and Computation|October 5, 2021
Global Optimization of the Lennard-Jones Parameters for the Drude Polarizable Force FieldChetan R Rupakheti, Alexander D MacKerell, Benoît Roux
The Journal of Physical Chemistry. B|September 18, 2010
CHARMM additive all-atom force field for glycosidic linkages in carbohydrates involving furanosesE Prabhu Raman, Olgun Guvench, Alexander D MacKerell
Journal of Computational Chemistry|June 9, 2004
Extending the treatment of backbone energetics in protein force fields: limitations of gas-phase quantum mechanics in reproducing protein conformational distributions in molecular dynamics simulationsAlexander D Mackerell, Michael Feig, Charles L Brooks
Journal of Chemical Information and Modeling|December 27, 2024
Detection of Putative Ligand Dissociation Pathways in Proteins Using Site-Identification by Ligand Competitive SaturationWenbo Yu, David J Weber, Alexander D MacKerell
The Journal of Physical Chemistry. B|June 15, 2006
Conserved patterns in backbone torsional changes allow for single base flipping from duplex DNA with minimal distortion of the double helixNilesh K Banavali, Niu Huang, Alexander D MacKerell
Biophysical Chemistry|September 10, 2013
Protonation of trimethylamine N-oxide (TMAO) is required for stabilization of RNA tertiary structureElizabeth J Denning, D Thirumalai, Alexander D MacKerell
Journal of Chemical Theory and Computation|December 19, 2018
Cation-π Interactions between Methylated Ammonium Groups and Tryptophan in the CHARMM36 Additive Force FieldHanif M Khan, Alexander D MacKerell, Nathalie Reuter
Carbohydrate Research|February 10, 2018
Proper balance of solvent-solute and solute-solute interactions in the treatment of the diffusion of glucose using the Drude polarizable force fieldMingjun Yang, Asaminew H Aytenfisu, Alexander D MacKerell
Nature Chemical Biology|June 27, 2025
Harnessing computational technologies to facilitate antibody-drug conjugate developmentAnastasia Croitoru, Asuka A Orr, Alexander D MacKerell
Pageof 41

Showing results (91-100 of 402) with videos related to

Sort By:
Pageof 41
The Journal of Physical Chemistry Letters|July 1, 2014
Induced Polarization Influences the Fundamental Forces in DNA Base FlippingJustin A Lemkul, Alexey Savelyev, Alexander D MacKerell
Journal of Chemical Theory and Computation|October 5, 2021
Global Optimization of the Lennard-Jones Parameters for the Drude Polarizable Force FieldChetan R Rupakheti, Alexander D MacKerell, Benoît Roux
The Journal of Physical Chemistry. B|September 18, 2010
CHARMM additive all-atom force field for glycosidic linkages in carbohydrates involving furanosesE Prabhu Raman, Olgun Guvench, Alexander D MacKerell
Journal of Computational Chemistry|June 9, 2004
Extending the treatment of backbone energetics in protein force fields: limitations of gas-phase quantum mechanics in reproducing protein conformational distributions in molecular dynamics simulationsAlexander D Mackerell, Michael Feig, Charles L Brooks
Journal of Chemical Information and Modeling|December 27, 2024
Detection of Putative Ligand Dissociation Pathways in Proteins Using Site-Identification by Ligand Competitive SaturationWenbo Yu, David J Weber, Alexander D MacKerell
The Journal of Physical Chemistry. B|June 15, 2006
Conserved patterns in backbone torsional changes allow for single base flipping from duplex DNA with minimal distortion of the double helixNilesh K Banavali, Niu Huang, Alexander D MacKerell
Biophysical Chemistry|September 10, 2013
Protonation of trimethylamine N-oxide (TMAO) is required for stabilization of RNA tertiary structureElizabeth J Denning, D Thirumalai, Alexander D MacKerell
Journal of Chemical Theory and Computation|December 19, 2018
Cation-π Interactions between Methylated Ammonium Groups and Tryptophan in the CHARMM36 Additive Force FieldHanif M Khan, Alexander D MacKerell, Nathalie Reuter
Carbohydrate Research|February 10, 2018
Proper balance of solvent-solute and solute-solute interactions in the treatment of the diffusion of glucose using the Drude polarizable force fieldMingjun Yang, Asaminew H Aytenfisu, Alexander D MacKerell
Nature Chemical Biology|June 27, 2025
Harnessing computational technologies to facilitate antibody-drug conjugate developmentAnastasia Croitoru, Asuka A Orr, Alexander D MacKerell
Pageof 41