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Alexander D Mackerell

Showing results (241-250 of 403) with videos related to

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Journal of Biomolecular Structure & Dynamics|December 5, 2024
Isolation of phytoconstituents from an extract of <i>Murraya paniculata</i> with cytotoxicity and antioxidant activities and <i>in silico</i> evaluation of their potential to bind to aldose reductase (AKR1B1)Afifa Parvin Shanta, Fatema-Tuz-Zohora, Rumana Mahtarin, et al.
Physical Chemistry Chemical Physics : PCCP|June 28, 2016
Delineating the conformational flexibility of trisaccharides from NMR spectroscopy experiments and computer simulationsMingjun Yang, Thibault Angles d'Ortoli, Elin Säwén, et al.
Journal of Chemical Theory and Computation|February 18, 2010
CHARMM Additive All-Atom Force Field for Glycosidic Linkages between HexopyranosesOlgun Guvench, Elizabeth R Hatcher, Richard M Venable, et al.
Biophysical Journal|June 8, 2007
Ab initio modeling of glycosyl torsions and anomeric effects in a model carbohydrate: 2-ethoxy tetrahydropyranH Lee Woodcock, Damian Moran, Richard W Pastor, et al.
Current Trends in Medicinal Chemistry|September 20, 2011
Inhibition of protein-protein interactions with low molecular weight compoundsMarilyn M Matthews, David J Weber, Paul S Shapiro, et al.
Pharmaceutical Research|February 23, 2012
Putative irreversible inhibitors of the human sodium-dependent bile acid transporter (hASBT; SLC10A2) support the role of transmembrane domain 7 in substrate binding/translocationPablo M González, Naissan Hussainzada, Peter W Swaan, et al.
Journal of Computer-Aided Molecular Design|February 13, 2017
Drude polarizable force field for aliphatic ketones and aldehydes, and their associated acyclic carbohydratesMeagan C Small, Asaminew H Aytenfisu, Fang-Yu Lin, et al.
Chemical Science|July 14, 2021
Rapid and accurate estimation of protein-ligand relative binding affinities using site-identification by ligand competitive saturationHimanshu Goel, Anthony Hazel, Vincent D Ustach, et al.
Helvetica Chimica Acta|February 5, 2013
Synthesis and Characterization of a Novel Diels - Alder Adduct of CodeineChristopher W Cunningham, Kellie Hom, Chayan Acharya, et al.
Journal of Computational Chemistry|April 24, 2023
GPU-specific algorithms for improved solute sampling in grand canonical Monte Carlo simulationsMingtian Zhao, Abhishek A Kognole, Sunhwan Jo, et al.
Pageof 41

Showing results (241-250 of 403) with videos related to

Sort By:
Pageof 41
Journal of Biomolecular Structure & Dynamics|December 5, 2024
Isolation of phytoconstituents from an extract of <i>Murraya paniculata</i> with cytotoxicity and antioxidant activities and <i>in silico</i> evaluation of their potential to bind to aldose reductase (AKR1B1)Afifa Parvin Shanta, Fatema-Tuz-Zohora, Rumana Mahtarin, et al.
Physical Chemistry Chemical Physics : PCCP|June 28, 2016
Delineating the conformational flexibility of trisaccharides from NMR spectroscopy experiments and computer simulationsMingjun Yang, Thibault Angles d'Ortoli, Elin Säwén, et al.
Journal of Chemical Theory and Computation|February 18, 2010
CHARMM Additive All-Atom Force Field for Glycosidic Linkages between HexopyranosesOlgun Guvench, Elizabeth R Hatcher, Richard M Venable, et al.
Biophysical Journal|June 8, 2007
Ab initio modeling of glycosyl torsions and anomeric effects in a model carbohydrate: 2-ethoxy tetrahydropyranH Lee Woodcock, Damian Moran, Richard W Pastor, et al.
Current Trends in Medicinal Chemistry|September 20, 2011
Inhibition of protein-protein interactions with low molecular weight compoundsMarilyn M Matthews, David J Weber, Paul S Shapiro, et al.
Pharmaceutical Research|February 23, 2012
Putative irreversible inhibitors of the human sodium-dependent bile acid transporter (hASBT; SLC10A2) support the role of transmembrane domain 7 in substrate binding/translocationPablo M González, Naissan Hussainzada, Peter W Swaan, et al.
Journal of Computer-Aided Molecular Design|February 13, 2017
Drude polarizable force field for aliphatic ketones and aldehydes, and their associated acyclic carbohydratesMeagan C Small, Asaminew H Aytenfisu, Fang-Yu Lin, et al.
Chemical Science|July 14, 2021
Rapid and accurate estimation of protein-ligand relative binding affinities using site-identification by ligand competitive saturationHimanshu Goel, Anthony Hazel, Vincent D Ustach, et al.
Helvetica Chimica Acta|February 5, 2013
Synthesis and Characterization of a Novel Diels - Alder Adduct of CodeineChristopher W Cunningham, Kellie Hom, Chayan Acharya, et al.
Journal of Computational Chemistry|April 24, 2023
GPU-specific algorithms for improved solute sampling in grand canonical Monte Carlo simulationsMingtian Zhao, Abhishek A Kognole, Sunhwan Jo, et al.
Pageof 41