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The Journal of Physical Chemistry. B
|
June 7, 2013
Bifurcated hydrogen bonding and asymmetric fluctuations in a carbohydrate crystal studied via X-ray crystallography and computational analysis
Xibing He, Elizabeth Hatcher, Lars Eriksson, et al.
The Journal of Physical Chemistry Letters
|
September 24, 2014
Recent Advances in Polarizable Force Fields for Macromolecules: Microsecond Simulations of Proteins Using the Classical Drude Oscillator Model
Jing Huang, Pedro E M Lopes, Benoît Roux, et al.
The Journal of Physical Chemistry. B
|
March 29, 2007
Polarizable empirical force field for aromatic compounds based on the classical drude oscillator
Pedro E M Lopes, Guillaume Lamoureux, Benoît Roux, et al.
Biophysical Journal
|
May 6, 2008
Molecular dynamics studies of polyethylene oxide and polyethylene glycol: hydrodynamic radius and shape anisotropy
Hwankyu Lee, Richard M Venable, Alexander D Mackerell, et al.
Methods in Molecular Biology (Clifton, N.J.)
|
February 25, 2015
Site Identification by Ligand Competitive Saturation (SILCS) simulations for fragment-based drug design
Christina E Faller, E Prabhu Raman, Alexander D MacKerell, et al.
Journal of Medicinal Chemistry
|
April 12, 2021
Progress toward B-Cell Lymphoma 6 BTB Domain Inhibitors for the Treatment of Diffuse Large B-Cell Lymphoma and Beyond
Yong Ai, Lucia Hwang, Alexander D MacKerell, et al.
Journal of Medicinal Chemistry
|
June 25, 2004
Identification of non-phosphate-containing small molecular weight inhibitors of the tyrosine kinase p56 Lck SH2 domain via in silico screening against the pY + 3 binding site
Niu Huang, Ashish Nagarsekar, Guanjun Xia, et al.
Journal of Computational Chemistry
|
November 13, 2015
DIRECT-ID: An automated method to identify and quantify conformational variations--application to β2 -adrenergic GPCR
Sirish Kaushik Lakkaraju, Justin A Lemkul, Jing Huang, et al.
Journal of Chemical Theory and Computation
|
April 26, 2018
Optimized Lennard-Jones Parameters for Druglike Small Molecules
Eliot Boulanger, Lei Huang, Chetan Rupakheti, et al.
New Journal of Chemistry = Nouveau Journal De Chimie
|
February 25, 2022
Application of Site-Identification by Ligand Competitive Saturation in Computer-Aided Drug Design
Himanshu Goel, Anthony Hazel, Wenbo Yu, et al.
Page
of 41
Search research articles
Search
Showing results (191-200 of 403) with videos related to
Sort By:
Page
of 41
The Journal of Physical Chemistry. B
|
June 7, 2013
Bifurcated hydrogen bonding and asymmetric fluctuations in a carbohydrate crystal studied via X-ray crystallography and computational analysis
Xibing He, Elizabeth Hatcher, Lars Eriksson, et al.
The Journal of Physical Chemistry Letters
|
September 24, 2014
Recent Advances in Polarizable Force Fields for Macromolecules: Microsecond Simulations of Proteins Using the Classical Drude Oscillator Model
Jing Huang, Pedro E M Lopes, Benoît Roux, et al.
The Journal of Physical Chemistry. B
|
March 29, 2007
Polarizable empirical force field for aromatic compounds based on the classical drude oscillator
Pedro E M Lopes, Guillaume Lamoureux, Benoît Roux, et al.
Biophysical Journal
|
May 6, 2008
Molecular dynamics studies of polyethylene oxide and polyethylene glycol: hydrodynamic radius and shape anisotropy
Hwankyu Lee, Richard M Venable, Alexander D Mackerell, et al.
Methods in Molecular Biology (Clifton, N.J.)
|
February 25, 2015
Site Identification by Ligand Competitive Saturation (SILCS) simulations for fragment-based drug design
Christina E Faller, E Prabhu Raman, Alexander D MacKerell, et al.
Journal of Medicinal Chemistry
|
April 12, 2021
Progress toward B-Cell Lymphoma 6 BTB Domain Inhibitors for the Treatment of Diffuse Large B-Cell Lymphoma and Beyond
Yong Ai, Lucia Hwang, Alexander D MacKerell, et al.
Journal of Medicinal Chemistry
|
June 25, 2004
Identification of non-phosphate-containing small molecular weight inhibitors of the tyrosine kinase p56 Lck SH2 domain via in silico screening against the pY + 3 binding site
Niu Huang, Ashish Nagarsekar, Guanjun Xia, et al.
Journal of Computational Chemistry
|
November 13, 2015
DIRECT-ID: An automated method to identify and quantify conformational variations--application to β2 -adrenergic GPCR
Sirish Kaushik Lakkaraju, Justin A Lemkul, Jing Huang, et al.
Journal of Chemical Theory and Computation
|
April 26, 2018
Optimized Lennard-Jones Parameters for Druglike Small Molecules
Eliot Boulanger, Lei Huang, Chetan Rupakheti, et al.
New Journal of Chemistry = Nouveau Journal De Chimie
|
February 25, 2022
Application of Site-Identification by Ligand Competitive Saturation in Computer-Aided Drug Design
Himanshu Goel, Anthony Hazel, Wenbo Yu, et al.
Page
of 41