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BMC Biology
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December 28, 2023
From byte to bench to bedside: molecular dynamics simulations and drug discovery
Mayar Ahmed, Alex M Maldonado, Jacob D Durrant
Arxiv
|
December 11, 2023
From Byte to Bench to Bedside: Molecular Dynamics Simulations and Drug Discovery
Mayar Ahmed, Alex M Maldonado, Jacob D Durrant
Nucleic Acids Research
|
May 23, 2024
MolModa: accessible and secure molecular docking in a web browser
Yuri Kochnev, Mayar Ahmed, Alex M Maldonado, et al.
The Journal of Chemical Physics
|
April 10, 2020
First-principles modeling of chemistry in mixed solvents: Where to go from here?
Alex M Maldonado, Yasemin Basdogan, Joshua T Berryman, et al.
The Journal of Chemical Physics
|
June 1, 2022
Quantum alchemy beyond singlets: Bonding in diatomic molecules with hydrogen
Emily A Eikey, Alex M Maldonado, Charles D Griego, et al.
The Journal of Chemical Physics
|
February 16, 2022
Evaluating quantum alchemy of atoms with thermodynamic cycles: Beyond ground electronic states
Emily A Eikey, Alex M Maldonado, Charles D Griego, et al.
The Journal of Physical Chemistry. A
|
January 4, 2021
Quantifying Uncertainties in Solvation Procedures for Modeling Aqueous Phase Reaction Mechanisms
Alex M Maldonado, Satoshi Hagiwara, Tae Hoon Choi, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 7) with videos related to
Sort By:
Page
of 1
BMC Biology
|
December 28, 2023
From byte to bench to bedside: molecular dynamics simulations and drug discovery
Mayar Ahmed, Alex M Maldonado, Jacob D Durrant
Arxiv
|
December 11, 2023
From Byte to Bench to Bedside: Molecular Dynamics Simulations and Drug Discovery
Mayar Ahmed, Alex M Maldonado, Jacob D Durrant
Nucleic Acids Research
|
May 23, 2024
MolModa: accessible and secure molecular docking in a web browser
Yuri Kochnev, Mayar Ahmed, Alex M Maldonado, et al.
The Journal of Chemical Physics
|
April 10, 2020
First-principles modeling of chemistry in mixed solvents: Where to go from here?
Alex M Maldonado, Yasemin Basdogan, Joshua T Berryman, et al.
The Journal of Chemical Physics
|
June 1, 2022
Quantum alchemy beyond singlets: Bonding in diatomic molecules with hydrogen
Emily A Eikey, Alex M Maldonado, Charles D Griego, et al.
The Journal of Chemical Physics
|
February 16, 2022
Evaluating quantum alchemy of atoms with thermodynamic cycles: Beyond ground electronic states
Emily A Eikey, Alex M Maldonado, Charles D Griego, et al.
The Journal of Physical Chemistry. A
|
January 4, 2021
Quantifying Uncertainties in Solvation Procedures for Modeling Aqueous Phase Reaction Mechanisms
Alex M Maldonado, Satoshi Hagiwara, Tae Hoon Choi, et al.
Page
of 1