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Agriculture and Food Chemistry

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Theoretical and Computational Chemistry

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Cleber Melo Filho

5 results in Authors: Cleber Melo Filho

Theoretical and Computational Chemistry

Sequence and structure conservation analysis of the key coronavirus proteins supports the feasibility of discovering broad-spectrum antiviral medications.

Cleber Melo-Filho, Tesia Bobrowski, Holli-Joi Martin, Zoe Sessions, Konstantin Popov, Nathaniel Moorman, Ralph Baric, Eugene Muratov, Alexander Tropsha

Version 1 posted 14 March 2022

456

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1

Citations

Theoretical and Computational Chemistry

Computational Models Identify Several FDA Approved or Experimental Drugs as Putative Agents Against SARS-CoV-2

Tesia Bobrowski, Vinicius Alves, Cleber C. Melo-Filho, Daniel Korn, Scott S. Auerbach, Charles Schmitt, Eugene Muratov, Alexander Tropsha

Version 1 posted 22 April 2020

1,640

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3

Citations

Theoretical and Computational Chemistry

AI-driven discovery of synergistic drug combinations against pancreatic cancer

Mohsen Pourmousa, Sankalp Jain, Elena Barnaeva, Wengong Jin, Joshua Hochuli, Zina Itkin, Travis Maxfield, Cleber Melo-Filho, Andrew Thieme, Kelli Wilson, Carleen Klumpp-Thomas, Sam Michael, Noel Southall, Tommi Jaakkola, Eugene Muratov, Regina Barzilay, Alexander Tropsha, Marc Ferrer, Alexey Zakharov

Version 1 posted 30 April 2024

521

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Agriculture and Food Chemistry

Proving the Potential: External Validation of STopTox as in Silico Alternative to Animal Toxicity Testing

Ricardo Scheufen Tieghi, Cleber Melo Filho, Holli-Joi Martin, Jose Teofilo Morera Filho, Tripp LaPratt, Dave Allen, Judy Strickland, Alexander Tropsha, Nicole Kleinstreuer, Eugene Muratov

Version 1 posted 04 September 2024

188

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Biological and Medicinal Chemistry

Novel Pharmacokinetics Profiler (PhaKinPro): Model Development, Validation, and Implementation as a Web-Tool for Triaging Compounds with Undesired PK Profiles

Marielle Rath, James Wellnitz, Holli-Joi Martin, Cleber Melo-Filho, Joshua Hochuli, Guilherme Martins da Silva, Jon-Michael Beasley, Travis Maxfield, Zoe Sessions, Konstantin Popov, Alexey Zakharov, Artem Cherkasov, Vinicius Alves, Eugene Muratov, Alexander Tropsha

Version 1 posted 20 March 2023

1,009

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