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Current Topics in Medicinal Chemistry
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February 3, 2007
Computational identification of inhibitors of protein-protein interactions
Shijun Zhong, Alba T Macias, Alexander D MacKerell
Journal of Computational Chemistry
|
June 30, 2004
CHARMM fluctuating charge force field for proteins: II protein/solvent properties from molecular dynamics simulations using a nonadditive electrostatic model
Sandeep Patel, Alexander D Mackerell, Charles L Brooks
Journal of Chemical Theory and Computation
|
April 28, 2023
Integrated Covalent Drug Design Workflow Using Site Identification by Ligand Competitive Saturation
Wenbo Yu, David J Weber, Alexander D MacKerell
The Journal of Physical Chemistry. B
|
December 3, 2015
Induced Dipole-Dipole Interactions Influence the Unfolding Pathways of Wild-Type and Mutant Amyloid β-Peptides
Justin A Lemkul, Jing Huang, Alexander D MacKerell
Theoretical Chemistry Accounts
|
June 26, 2010
Molecular modeling and dynamics studies with explicit inclusion of electronic polarizability. Theory and applications
Pedro E M Lopes, Benoit Roux, Alexander D Mackerell
The Journal of Physical Chemistry. B
|
December 17, 2010
Conformational properties of methyl β-maltoside and methyl α- and β-cellobioside disaccharides
Elizabeth Hatcher, Elin Säwén, Göran Widmalm, et al.
The Journal of Physical Chemistry. B
|
December 21, 2010
Development of CHARMM polarizable force field for nucleic acid bases based on the classical Drude oscillator model
Christopher M Baker, Victor M Anisimov, Alexander D MacKerell
Journal of the American Chemical Society
|
March 31, 2005
Unexpected relative aqueous solubilities of a phosphotyrosine analogue and two phosphonate derivatives
Stefan Boresch, Martin Leitgeb, Aleksandra Beselman, et al.
Journal of Chemical Information and Modeling
|
November 16, 2020
Assessing hERG1 Blockade from Bayesian Machine-Learning-Optimized Site Identification by Ligand Competitive Saturation Simulations
Mahdi Mousaei, Meruyert Kudaibergenova, Alexander D MacKerell, et al.
The Journal of Physical Chemistry. B
|
August 25, 2022
Extension of the CHARMM Classical Drude Polarizable Force Field to N- and O-Linked Glycopeptides and Glycoproteins
Abhishek A Kognole, Asaminew H Aytenfisu, Alexander D MacKerell
Page
of 41
Search research articles
Search
Showing results (111-120 of 402) with videos related to
Sort By:
Page
of 41
Current Topics in Medicinal Chemistry
|
February 3, 2007
Computational identification of inhibitors of protein-protein interactions
Shijun Zhong, Alba T Macias, Alexander D MacKerell
Journal of Computational Chemistry
|
June 30, 2004
CHARMM fluctuating charge force field for proteins: II protein/solvent properties from molecular dynamics simulations using a nonadditive electrostatic model
Sandeep Patel, Alexander D Mackerell, Charles L Brooks
Journal of Chemical Theory and Computation
|
April 28, 2023
Integrated Covalent Drug Design Workflow Using Site Identification by Ligand Competitive Saturation
Wenbo Yu, David J Weber, Alexander D MacKerell
The Journal of Physical Chemistry. B
|
December 3, 2015
Induced Dipole-Dipole Interactions Influence the Unfolding Pathways of Wild-Type and Mutant Amyloid β-Peptides
Justin A Lemkul, Jing Huang, Alexander D MacKerell
Theoretical Chemistry Accounts
|
June 26, 2010
Molecular modeling and dynamics studies with explicit inclusion of electronic polarizability. Theory and applications
Pedro E M Lopes, Benoit Roux, Alexander D Mackerell
The Journal of Physical Chemistry. B
|
December 17, 2010
Conformational properties of methyl β-maltoside and methyl α- and β-cellobioside disaccharides
Elizabeth Hatcher, Elin Säwén, Göran Widmalm, et al.
The Journal of Physical Chemistry. B
|
December 21, 2010
Development of CHARMM polarizable force field for nucleic acid bases based on the classical Drude oscillator model
Christopher M Baker, Victor M Anisimov, Alexander D MacKerell
Journal of the American Chemical Society
|
March 31, 2005
Unexpected relative aqueous solubilities of a phosphotyrosine analogue and two phosphonate derivatives
Stefan Boresch, Martin Leitgeb, Aleksandra Beselman, et al.
Journal of Chemical Information and Modeling
|
November 16, 2020
Assessing hERG1 Blockade from Bayesian Machine-Learning-Optimized Site Identification by Ligand Competitive Saturation Simulations
Mahdi Mousaei, Meruyert Kudaibergenova, Alexander D MacKerell, et al.
The Journal of Physical Chemistry. B
|
August 25, 2022
Extension of the CHARMM Classical Drude Polarizable Force Field to N- and O-Linked Glycopeptides and Glycoproteins
Abhishek A Kognole, Asaminew H Aytenfisu, Alexander D MacKerell
Page
of 41