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 (221-230 of 403) with videos related to

Pageof 41
Sort By:
Molecular Pharmaceutics|September 23, 2020
Computational Characterization of Antibody-Excipient Interactions for Rational Excipient Selection Using the Site Identification by Ligand Competitive Saturation-Biologics ApproachSunhwan Jo, Amy Xu, Joseph E Curtis, et al.
The Journal of Physical Chemistry. B|February 11, 2015
Dispersion interactions between urea and nucleobases contribute to the destabilization of RNA by urea in aqueous solutionKoushik Kasavajhala, Swetha Bikkina, Indrajit Patil, et al.
The Journal of Physical Chemistry. B|April 22, 2024
Identifying and Assessing Putative Allosteric Sites and Modulators for CXCR4 Predicted through Network Modeling and Site Identification by Ligand Competitive SaturationTugce Inan, Robin Flinko, George K Lewis, et al.
Biorxiv : the Preprint Server for Biology|January 9, 2026
Drude SILCS-Nucleic: Harnessing Explicit Electronic Polarization in Targeting RNA and DNA for Drug DesignHaley M Michel, Anne M Brown, Alexander D MacKerell, et al.
Journal of Chemical Information and Modeling|November 29, 2005
Lead validation and SAR development via chemical similarity searching; application to compounds targeting the pY+3 site of the SH2 domain of p56lckAlba T Macias, Md Younus Mia, Guanjun Xia, et al.
Glycobiology|August 7, 2016
Estimating glycosaminoglycan-protein interaction affinity: water dominates the specific antithrombin-heparin interactionAurijit Sarkar, Wenbo Yu, Umesh R Desai, et al.
The Journal of Physical Chemistry. B|February 21, 2014
Conformational properties of α- or β-(1→6)-linked oligosaccharides: Hamiltonian replica exchange MD simulations and NMR experimentsDhilon S Patel, Robert Pendrill, Sairam S Mallajosyula, et al.
The Journal of Physical Chemistry. B|January 21, 2012
Comprehensive conformational studies of five tripeptides and a deduced method for efficient determinations of peptide structuresWenbo Yu, Zhiqing Wu, Huibin Chen, et al.
The Journal of Physical Chemistry. B|January 4, 2011
Molecular simulations of dodecyl-β-maltoside micelles in water: influence of the headgroup conformation and force field parametersStéphane Abel, François-Yves Dupradeau, E Prabhu Raman, et al.
Journal of Chemical Theory and Computation|October 9, 2024
Refinement of the Drude Polarizable Force Field for Hexose Monosaccharides: Capturing Ring Conformational Dynamics with Enhanced AccuracyChythra J N, Olgun Guvench, Alexander D MacKerell, et al.
Pageof 41

Showing results (221-230 of 403) with videos related to

Sort By:
Pageof 41
Molecular Pharmaceutics|September 23, 2020
Computational Characterization of Antibody-Excipient Interactions for Rational Excipient Selection Using the Site Identification by Ligand Competitive Saturation-Biologics ApproachSunhwan Jo, Amy Xu, Joseph E Curtis, et al.
The Journal of Physical Chemistry. B|February 11, 2015
Dispersion interactions between urea and nucleobases contribute to the destabilization of RNA by urea in aqueous solutionKoushik Kasavajhala, Swetha Bikkina, Indrajit Patil, et al.
The Journal of Physical Chemistry. B|April 22, 2024
Identifying and Assessing Putative Allosteric Sites and Modulators for CXCR4 Predicted through Network Modeling and Site Identification by Ligand Competitive SaturationTugce Inan, Robin Flinko, George K Lewis, et al.
Biorxiv : the Preprint Server for Biology|January 9, 2026
Drude SILCS-Nucleic: Harnessing Explicit Electronic Polarization in Targeting RNA and DNA for Drug DesignHaley M Michel, Anne M Brown, Alexander D MacKerell, et al.
Journal of Chemical Information and Modeling|November 29, 2005
Lead validation and SAR development via chemical similarity searching; application to compounds targeting the pY+3 site of the SH2 domain of p56lckAlba T Macias, Md Younus Mia, Guanjun Xia, et al.
Glycobiology|August 7, 2016
Estimating glycosaminoglycan-protein interaction affinity: water dominates the specific antithrombin-heparin interactionAurijit Sarkar, Wenbo Yu, Umesh R Desai, et al.
The Journal of Physical Chemistry. B|February 21, 2014
Conformational properties of α- or β-(1→6)-linked oligosaccharides: Hamiltonian replica exchange MD simulations and NMR experimentsDhilon S Patel, Robert Pendrill, Sairam S Mallajosyula, et al.
The Journal of Physical Chemistry. B|January 21, 2012
Comprehensive conformational studies of five tripeptides and a deduced method for efficient determinations of peptide structuresWenbo Yu, Zhiqing Wu, Huibin Chen, et al.
The Journal of Physical Chemistry. B|January 4, 2011
Molecular simulations of dodecyl-β-maltoside micelles in water: influence of the headgroup conformation and force field parametersStéphane Abel, François-Yves Dupradeau, E Prabhu Raman, et al.
Journal of Chemical Theory and Computation|October 9, 2024
Refinement of the Drude Polarizable Force Field for Hexose Monosaccharides: Capturing Ring Conformational Dynamics with Enhanced AccuracyChythra J N, Olgun Guvench, Alexander D MacKerell, et al.
Pageof 41