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The Journal of Physical Chemistry. B
|
December 3, 2024
Balancing Group 1 Monoatomic Ion-Polar Compound Interactions in the Polarizable Drude Force Field: Application in Protein and Nucleic Acid Systems
Yiling Nan, Prabin Baral, Asuka A Orr, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
November 30, 2022
In silico identification of a β<sub>2</sub>-adrenoceptor allosteric site that selectively augments canonical β<sub>2</sub>AR-Gs signaling and function
Sushrut D Shah, Christoffer Lind, Francesco De Pascali, et al.
Bioorganic & Medicinal Chemistry
|
March 19, 2004
3-chloropropanoic acid (UMB66): a ligand for the gamma-hydroxybutyric acid receptor lacking a 4-hydroxyl group
Alba T Macias, R Jason Hernandez, Ashok K Mehta, et al.
Journal of Chemical Theory and Computation
|
January 25, 2014
Force Field for Peptides and Proteins based on the Classical Drude Oscillator
Pedro E M Lopes, Jing Huang, Jihyun Shim, et al.
ACS Medicinal Chemistry Letters
|
January 29, 2014
Desmethyl Macrolides: Synthesis and Evaluation of 4,8,10-Tridesmethyl Cethromycin
Bharat Wagh, Tapas Paul, Charles Debrosse, et al.
Journal of Chemical Theory and Computation
|
April 14, 2020
Further Optimization and Validation of the Classical Drude Polarizable Protein Force Field
Fang-Yu Lin, Jing Huang, Poonam Pandey, et al.
Methods in Molecular Biology (Clifton, N.J.)
|
March 11, 2015
Lipopolysaccharide membrane building and simulation
Sunhwan Jo, Emilia L Wu, Danielle Stuhlsatz, et al.
Molecules (Basel, Switzerland)
|
October 24, 2018
A Comparison of QM/MM Simulations with and without the Drude Oscillator Model Based on Hydration Free Energies of Simple Solutes
Gerhard König, Frank C Pickard, Jing Huang, et al.
Biophysical Journal
|
November 21, 2015
Insight into Early-Stage Unfolding of GPI-Anchored Human Prion Protein
Emilia L Wu, Yifei Qi, Soohyung Park, et al.
The Journal of Physical Chemistry. B
|
October 15, 2021
Development of CHARMM Additive Potential Energy Parameters for α-Methyl Amino Acids
Anthony J Pane, Wenbo Yu, Asaminew Aytenfisu, et al.
Page
of 41
Search research articles
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Showing results (281-290 of 403) with videos related to
Sort By:
Page
of 41
The Journal of Physical Chemistry. B
|
December 3, 2024
Balancing Group 1 Monoatomic Ion-Polar Compound Interactions in the Polarizable Drude Force Field: Application in Protein and Nucleic Acid Systems
Yiling Nan, Prabin Baral, Asuka A Orr, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
November 30, 2022
In silico identification of a β<sub>2</sub>-adrenoceptor allosteric site that selectively augments canonical β<sub>2</sub>AR-Gs signaling and function
Sushrut D Shah, Christoffer Lind, Francesco De Pascali, et al.
Bioorganic & Medicinal Chemistry
|
March 19, 2004
3-chloropropanoic acid (UMB66): a ligand for the gamma-hydroxybutyric acid receptor lacking a 4-hydroxyl group
Alba T Macias, R Jason Hernandez, Ashok K Mehta, et al.
Journal of Chemical Theory and Computation
|
January 25, 2014
Force Field for Peptides and Proteins based on the Classical Drude Oscillator
Pedro E M Lopes, Jing Huang, Jihyun Shim, et al.
ACS Medicinal Chemistry Letters
|
January 29, 2014
Desmethyl Macrolides: Synthesis and Evaluation of 4,8,10-Tridesmethyl Cethromycin
Bharat Wagh, Tapas Paul, Charles Debrosse, et al.
Journal of Chemical Theory and Computation
|
April 14, 2020
Further Optimization and Validation of the Classical Drude Polarizable Protein Force Field
Fang-Yu Lin, Jing Huang, Poonam Pandey, et al.
Methods in Molecular Biology (Clifton, N.J.)
|
March 11, 2015
Lipopolysaccharide membrane building and simulation
Sunhwan Jo, Emilia L Wu, Danielle Stuhlsatz, et al.
Molecules (Basel, Switzerland)
|
October 24, 2018
A Comparison of QM/MM Simulations with and without the Drude Oscillator Model Based on Hydration Free Energies of Simple Solutes
Gerhard König, Frank C Pickard, Jing Huang, et al.
Biophysical Journal
|
November 21, 2015
Insight into Early-Stage Unfolding of GPI-Anchored Human Prion Protein
Emilia L Wu, Yifei Qi, Soohyung Park, et al.
The Journal of Physical Chemistry. B
|
October 15, 2021
Development of CHARMM Additive Potential Energy Parameters for α-Methyl Amino Acids
Anthony J Pane, Wenbo Yu, Asaminew Aytenfisu, et al.
Page
of 41