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Molecular Pharmaceutics
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September 23, 2020
Computational Characterization of Antibody-Excipient Interactions for Rational Excipient Selection Using the Site Identification by Ligand Competitive Saturation-Biologics Approach
Sunhwan 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 solution
Koushik 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 Saturation
Tugce 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 Design
Haley 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 p56lck
Alba T Macias, Md Younus Mia, Guanjun Xia, et al.
Glycobiology
|
August 7, 2016
Estimating glycosaminoglycan-protein interaction affinity: water dominates the specific antithrombin-heparin interaction
Aurijit 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 experiments
Dhilon 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 structures
Wenbo 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 parameters
Stéphane 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 Accuracy
Chythra J N, Olgun Guvench, Alexander D MacKerell, et al.
Page
of 41
Search research articles
Search
Showing results (221-230 of 403) with videos related to
Sort By:
Page
of 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 Approach
Sunhwan 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 solution
Koushik 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 Saturation
Tugce 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 Design
Haley 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 p56lck
Alba T Macias, Md Younus Mia, Guanjun Xia, et al.
Glycobiology
|
August 7, 2016
Estimating glycosaminoglycan-protein interaction affinity: water dominates the specific antithrombin-heparin interaction
Aurijit 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 experiments
Dhilon 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 structures
Wenbo 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 parameters
Stéphane 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 Accuracy
Chythra J N, Olgun Guvench, Alexander D MacKerell, et al.
Page
of 41