Publications by authors named "Alex Maldonado"

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MolModa: accessible and secure molecular docking in a web browser.
Yuri Kochnev, Mayar Ahmed, Alex M Maldonado, Jacob D Durrant

Nucleic Acids Res· July 2024

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From byte to bench to bedside: molecular dynamics simulations and drug discovery.
Mayar Ahmed, Alex M Maldonado, Jacob D Durrant

BMC Biol· December 2023

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From Byte to Bench to Bedside: Molecular Dynamics Simulations and Drug Discovery.
Mayar Ahmed, Alex M Maldonado, Jacob D Durrant

ArXiv· November 2023

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Quantum alchemy beyond singlets: Bonding in diatomic molecules with hydrogen.
Emily A Eikey, Alex M Maldonado, Charles D Griego, Guido Falk von Rudorff, John A Keith

J Chem Phys· May 2022

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Evaluating quantum alchemy of atoms with thermodynamic cycles: Beyond ground electronic states.
Emily A Eikey, Alex M Maldonado, Charles D Griego, Guido Falk von Rudorff, John A Keith

J Chem Phys· February 2022

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Bluetongue Virus Infections in Cattle Herds of Manabí Province of Ecuador.
Euclides De la Torre, Nixon Moreira, Claude Saegerman, Kris De Clercq, María Salinas, Alex Maldonado

Pathogens· November 2021

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Quantifying Uncertainties in Solvation Procedures for Modeling Aqueous Phase Reaction Mechanisms.
Alex M Maldonado, Satoshi Hagiwara, Tae Hoon Choi, Frank Eckert, Kathleen Schwarz

J Phys Chem A· January 2021

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First-principles modeling of chemistry in mixed solvents: Where to go from here?
Alex M Maldonado, Yasemin Basdogan, Joshua T Berryman, Susan B Rempe, John A Keith

J Chem Phys· April 2020

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Synthesis and characterization of the first potent inhibitor of yapsin 1. Implications for the study of yapsin-like enzymes.
Niamh X Cawley, Masao Chino, Alex Maldonado, Yazmin M Rodriguez, Y Peng Loh

J Biol Chem· February 2003

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Trafficking of mutant carboxypeptidase E to secretory granules in a beta-cell line derived from Cpe(fat)/Cpe(fat) mice.
Niamh X Cawley, Yazmin M Rodriguez, Alex Maldonado, Y Peng Loh

Endocrinology· January 2003

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Mechanism of sorting proopiomelanocortin and proenkephalin to the regulated secretory pathway of neuroendocrine cells.
Y Peng Loh, Alex Maldonado, Chunfa Zhang, Winnie H Tam, Niamh Cawley

Ann N Y Acad Sci· October 2002

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