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Faraday Discussions
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June 26, 2013
Simulation study of ion pairing in concentrated aqueous salt solutions with a polarizable force field
Yun 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 assay
Wen-Mei Yu, Olgun Guvench, Alexander D Mackerell, et al.
Journal of Computational Chemistry
|
February 4, 2016
Additive CHARMM force field for naturally occurring modified ribonucleotides
You 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 models
Esther 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 inhibitors
Chad 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 lysozyme
Matthias 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 acids
Pablo 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 membranes
Chayan 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 fields
Bin 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 translocation
Hairat Sabit, Sairam S Mallajosyula, Alexander D MacKerell, et al.
Page
of 41
Search research articles
Search
Showing results (181-190 of 403) with videos related to
Sort By:
Page
of 41
Faraday Discussions
|
June 26, 2013
Simulation study of ion pairing in concentrated aqueous salt solutions with a polarizable force field
Yun 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 assay
Wen-Mei Yu, Olgun Guvench, Alexander D Mackerell, et al.
Journal of Computational Chemistry
|
February 4, 2016
Additive CHARMM force field for naturally occurring modified ribonucleotides
You 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 models
Esther 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 inhibitors
Chad 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 lysozyme
Matthias 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 acids
Pablo 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 membranes
Chayan 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 fields
Bin 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 translocation
Hairat Sabit, Sairam S Mallajosyula, Alexander D MacKerell, et al.
Page
of 41