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The Journal of Physical Chemistry. B
|
August 17, 2013
A comparative Kirkwood-Buff study of aqueous methanol solutions modeled by the CHARMM additive and Drude polarizable force fields
Bin Lin, Xibing He, Alexander D MacKerell
The Journal of Physical Chemistry. B
|
June 14, 2013
Molecular details of the activation of the μ opioid receptor
Jihyun Shim, Andrew Coop, Alexander D MacKerell
Chemistry (Basel, Switzerland)
|
January 30, 2023
hERG Blockade Prediction by Combining Site Identification by Ligand Competitive Saturation and Physicochemical Properties
Himanshu Goel, Wenbo Yu, Alexander D MacKerell
Bioorganic & Medicinal Chemistry
|
July 2, 2016
Structural effects of modified ribonucleotides and magnesium in transfer RNAs
You Xu, Alexander D MacKerell, Lennart Nilsson
The Journal of Physical Chemistry. B
|
August 22, 2009
CHARMM additive all-atom force field for aldopentofuranoses, methyl-aldopentofuranosides, and fructofuranose
Elizabeth Hatcher, Olgun Guvench, Alexander D Mackerell
Journal of Medicinal Chemistry
|
November 24, 2005
Conformationally sampled pharmacophore for peptidic delta opioid ligands
Denzil Bernard, Andrew Coop, Alexander D MacKerell
Journal of Computational Chemistry
|
April 1, 2015
Robustness in the fitting of molecular mechanics parameters
Kenno Vanommeslaeghe, Mingjun Yang, Alexander D MacKerell
The Journal of Physical Chemistry. B
|
May 14, 2011
Consensus 3D model of μ-opioid receptor ligand efficacy based on a quantitative Conformationally Sampled Pharmacophore
Jihyun Shim, Andrew Coop, Alexander D MacKerell
Journal of Computational Chemistry
|
May 16, 2025
Non-Covalent Molecular Interaction Rules to Define Internal Dimer Coordinates for Quantum Mechanical Potential Energy Scans
Suliman Sharif, Anmol Kumar, Alexander D MacKerell
Journal of Chemical Information and Modeling
|
January 19, 2013
Impact of substrate protonation and tautomerization states on interactions with the active site of arginase I
Shanthi Nagagarajan, Fengtian Xue, Alexander D MacKerell
Page
of 41
Search research articles
Search
Showing results (71-80 of 402) with videos related to
Sort By:
Page
of 41
The Journal of Physical Chemistry. B
|
August 17, 2013
A comparative Kirkwood-Buff study of aqueous methanol solutions modeled by the CHARMM additive and Drude polarizable force fields
Bin Lin, Xibing He, Alexander D MacKerell
The Journal of Physical Chemistry. B
|
June 14, 2013
Molecular details of the activation of the μ opioid receptor
Jihyun Shim, Andrew Coop, Alexander D MacKerell
Chemistry (Basel, Switzerland)
|
January 30, 2023
hERG Blockade Prediction by Combining Site Identification by Ligand Competitive Saturation and Physicochemical Properties
Himanshu Goel, Wenbo Yu, Alexander D MacKerell
Bioorganic & Medicinal Chemistry
|
July 2, 2016
Structural effects of modified ribonucleotides and magnesium in transfer RNAs
You Xu, Alexander D MacKerell, Lennart Nilsson
The Journal of Physical Chemistry. B
|
August 22, 2009
CHARMM additive all-atom force field for aldopentofuranoses, methyl-aldopentofuranosides, and fructofuranose
Elizabeth Hatcher, Olgun Guvench, Alexander D Mackerell
Journal of Medicinal Chemistry
|
November 24, 2005
Conformationally sampled pharmacophore for peptidic delta opioid ligands
Denzil Bernard, Andrew Coop, Alexander D MacKerell
Journal of Computational Chemistry
|
April 1, 2015
Robustness in the fitting of molecular mechanics parameters
Kenno Vanommeslaeghe, Mingjun Yang, Alexander D MacKerell
The Journal of Physical Chemistry. B
|
May 14, 2011
Consensus 3D model of μ-opioid receptor ligand efficacy based on a quantitative Conformationally Sampled Pharmacophore
Jihyun Shim, Andrew Coop, Alexander D MacKerell
Journal of Computational Chemistry
|
May 16, 2025
Non-Covalent Molecular Interaction Rules to Define Internal Dimer Coordinates for Quantum Mechanical Potential Energy Scans
Suliman Sharif, Anmol Kumar, Alexander D MacKerell
Journal of Chemical Information and Modeling
|
January 19, 2013
Impact of substrate protonation and tautomerization states on interactions with the active site of arginase I
Shanthi Nagagarajan, Fengtian Xue, Alexander D MacKerell
Page
of 41