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5 results in Authors: Pedro Ballester

Biological and Medicinal Chemistry

Drug Repurposing for Covid-19: Discovery of Potential Small-Molecule Inhibitors of Spike Protein-ACE2 Receptor Interaction Through Virtual Screening and Consensus Scoring

Sachin Patil, Jeremy Hofer, Pedro J. Ballester, Elena Fattakhova, Juliette DiFlumeri, Autumn Campbell, Michael Oravic

Version 1 posted 17 June 2020

2,151

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6

Citations

Biological and Medicinal Chemistry

Selecting Machine-Learning Scoring Functions for Structure-Based Virtual Screening

Pedro Ballester

Version 1 posted 23 September 2020

912

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A machine learning approach to predict cellular uptake of pBAE polyplexes

Aparna Loecher, Michael Bruyns-Haylett, Pedro Ballester, Salvador Borrós, Nuria Oliva

Version 1 posted 16 May 2023

142

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Theoretical and Computational Chemistry

Structure-based virtual screening for PDL1 dimerizers: evaluating generic scoring functions

Viet-khoa Tran-nguyen, Saw Simeon, Muhammad Junaid, Pedro Ballester

Version 1 posted 28 March 2022

241

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Theoretical and Computational Chemistry

UMAP-clustering split for rigorous evaluation of AI models for virtual screening on cancer cell lines

Qianrong Guo, Saiveth Hernandez, Pedro Ballester

Version 1 posted 10 December 2024

103

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