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 (181-190 of 403) with videos related to

Pageof 41
Sort By:
Faraday Discussions|June 26, 2013
Simulation study of ion pairing in concentrated aqueous salt solutions with a polarizable force fieldYun Luo, Wei Jiang, Haibo Yu, et al.
Journal of Medicinal Chemistry|November 15, 2008
Identification of small molecular weight inhibitors of Src homology 2 domain-containing tyrosine phosphatase 2 (SHP-2) via in silico database screening combined with experimental assayWen-Mei Yu, Olgun Guvench, Alexander D Mackerell, et al.
Journal of Computational Chemistry|February 4, 2016
Additive CHARMM force field for naturally occurring modified ribonucleotidesYou Xu, Kenno Vanommeslaeghe, Alexey Aleksandrov, et al.
Physical Chemistry Chemical Physics : PCCP|August 2, 2019
Solvation dynamics: improved reproduction of the time-dependent Stokes shift with polarizable empirical force field chromophore modelsEsther Heid, Stella Schmode, Payal Chatterjee, et al.
Medicinal Chemistry (Shariqah (United Arab Emirates))|June 22, 2006
Mitogen activated protein (MAP) kinases: development of ATP and non-ATP dependent inhibitorsChad N Hancock, Alba T Macias, Alexander D Mackerell, et al.
Biophysical Journal|December 20, 2005
Importance of the CMAP correction to the CHARMM22 protein force field: dynamics of hen lysozymeMatthias Buck, Sabine Bouguet-Bonnet, Richard W Pastor, et al.
Pharmaceutical Research|April 23, 2009
Inhibition requirements of the human apical sodium-dependent bile acid transporter (hASBT) using aminopiperidine conjugates of glutamyl-bile acidsPablo M González, Chayan Acharya, Alexander D Mackerell, et al.
Molecular Pharmaceutics|August 20, 2008
Computational model for predicting chemical substituent effects on passive drug permeability across parallel artificial membranesChayan Acharya, Paul R Seo, James E Polli, et al.
The Journal of Chemical Physics|September 7, 2013
Kirkwood-Buff analysis of aqueous N-methylacetamide and acetamide solutions modeled by the CHARMM additive and Drude polarizable force fieldsBin Lin, Pedro E M Lopes, Benoît Roux, et al.
The Journal of Biological Chemistry|September 19, 2013
Transmembrane domain II of the human bile acid transporter SLC10A2 coordinates sodium translocationHairat Sabit, Sairam S Mallajosyula, Alexander D MacKerell, et al.
Pageof 41

Showing results (181-190 of 403) with videos related to

Sort By:
Pageof 41
Faraday Discussions|June 26, 2013
Simulation study of ion pairing in concentrated aqueous salt solutions with a polarizable force fieldYun Luo, Wei Jiang, Haibo Yu, et al.
Journal of Medicinal Chemistry|November 15, 2008
Identification of small molecular weight inhibitors of Src homology 2 domain-containing tyrosine phosphatase 2 (SHP-2) via in silico database screening combined with experimental assayWen-Mei Yu, Olgun Guvench, Alexander D Mackerell, et al.
Journal of Computational Chemistry|February 4, 2016
Additive CHARMM force field for naturally occurring modified ribonucleotidesYou Xu, Kenno Vanommeslaeghe, Alexey Aleksandrov, et al.
Physical Chemistry Chemical Physics : PCCP|August 2, 2019
Solvation dynamics: improved reproduction of the time-dependent Stokes shift with polarizable empirical force field chromophore modelsEsther Heid, Stella Schmode, Payal Chatterjee, et al.
Medicinal Chemistry (Shariqah (United Arab Emirates))|June 22, 2006
Mitogen activated protein (MAP) kinases: development of ATP and non-ATP dependent inhibitorsChad N Hancock, Alba T Macias, Alexander D Mackerell, et al.
Biophysical Journal|December 20, 2005
Importance of the CMAP correction to the CHARMM22 protein force field: dynamics of hen lysozymeMatthias Buck, Sabine Bouguet-Bonnet, Richard W Pastor, et al.
Pharmaceutical Research|April 23, 2009
Inhibition requirements of the human apical sodium-dependent bile acid transporter (hASBT) using aminopiperidine conjugates of glutamyl-bile acidsPablo M González, Chayan Acharya, Alexander D Mackerell, et al.
Molecular Pharmaceutics|August 20, 2008
Computational model for predicting chemical substituent effects on passive drug permeability across parallel artificial membranesChayan Acharya, Paul R Seo, James E Polli, et al.
The Journal of Chemical Physics|September 7, 2013
Kirkwood-Buff analysis of aqueous N-methylacetamide and acetamide solutions modeled by the CHARMM additive and Drude polarizable force fieldsBin Lin, Pedro E M Lopes, Benoît Roux, et al.
The Journal of Biological Chemistry|September 19, 2013
Transmembrane domain II of the human bile acid transporter SLC10A2 coordinates sodium translocationHairat Sabit, Sairam S Mallajosyula, Alexander D MacKerell, et al.
Pageof 41