Nicolas A Pabon

Predicting protein targets for drug-like compounds using transcriptomics

Nicolas A Pabon, Yan Xia, Samuel K. Estabrooks et al. · PLoS Computational Biology · 2018 · 68 citations · Full text

Drug Target, Molecular Biology, Expanded Chemical Space +16

Optimizing active learning for free energy calculations

James M. Thompson, W. Patrick Walters, Jianwen A. Feng et al. · Artificial Intelligence in the Life Sciences · 2022 · 62 citations · Full text

Model Optimization, Computational Science, Engineering +5

A network-centric approach to drugging TNF-induced NF-κB signaling

Nicolas A Pabon, Qiuhong Zhang, J. Agustin Cruz et al. · Nature Communications · 2019 · 36 citations · Full text

Probing protein flexibility reveals a mechanism for selective promiscuity

Nicolas A Pabon, Carlos J. Camacho · eLife · 2017 · 26 citations · Full text

Molecular Docking, Unbound Conformations, Drug Target +14

A Teach-Discover-Treat Application of ZincPharmer: An Online Interactive Pharmacophore Modeling and Virtual Screening Tool

David Ryan Koes, Nicolas A Pabon, Xiaoyi Deng et al. · PLoS ONE · 2015 · 23 citations · Full text

Drug Target, Bioorganic Chemistry, Hit Identification +16