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Alex M Maldonado

Showing results (1-10 of 7) with videos related to

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BMC Biology|December 28, 2023
From byte to bench to bedside: molecular dynamics simulations and drug discoveryMayar Ahmed, Alex M Maldonado, Jacob D Durrant
Arxiv|December 11, 2023
From Byte to Bench to Bedside: Molecular Dynamics Simulations and Drug DiscoveryMayar Ahmed, Alex M Maldonado, Jacob D Durrant
Nucleic Acids Research|May 23, 2024
MolModa: accessible and secure molecular docking in a web browserYuri 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 hydrogenEmily 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 statesEmily 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 MechanismsAlex M Maldonado, Satoshi Hagiwara, Tae Hoon Choi, et al.
Pageof 1

Showing results (1-10 of 7) with videos related to

Sort By:
Pageof 1
BMC Biology|December 28, 2023
From byte to bench to bedside: molecular dynamics simulations and drug discoveryMayar Ahmed, Alex M Maldonado, Jacob D Durrant
Arxiv|December 11, 2023
From Byte to Bench to Bedside: Molecular Dynamics Simulations and Drug DiscoveryMayar Ahmed, Alex M Maldonado, Jacob D Durrant
Nucleic Acids Research|May 23, 2024
MolModa: accessible and secure molecular docking in a web browserYuri 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 hydrogenEmily 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 statesEmily 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 MechanismsAlex M Maldonado, Satoshi Hagiwara, Tae Hoon Choi, et al.
Pageof 1