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Antiviral Research|December 3, 2025
Novel computational pipeline to identify target sites for broad spectrum antiviral drugsJohn D Sears, Konstantin I Popov, Paul A Sylvester, et al.Biorxiv : the Preprint Server for Biology|August 6, 2025
Novel Computational Pipeline to Identify Target Sites for Broad Spectrum Antiviral DrugsJohn D Sears, Konstantin I Popov, Paul Sylvester, et al.Nature Communications|July 4, 2024
A data science roadmap for open science organizations engaged in early-stage drug discoveryKristina Edfeldt, Aled M Edwards, Ola Engkvist, et al.Proteins|October 20, 2025
Modeling Protein-Protein and Protein-Ligand Interactions by the ClusPro Team in CASP16Ryota Ashizawa, Sergei Kotelnikov, Omeir Khan, et al.Journal of Chemical Information and Modeling|November 2, 2010
Applicability domains for classification problems: Benchmarking of distance to models for Ames mutagenicity setIurii Sushko, Sergii Novotarskyi, Robert Körner, et al.Journal of Medicinal Chemistry|October 6, 2025
Enabling Open Machine Learning of Deoxyribonucleic Acid-Encoded Library Selections to Accelerate the Discovery of Small Molecule Protein BindersJames Wellnitz, Shabbir Ahmad, Nabin Bagale, et al.Nature Communications|September 5, 2014
Clozapine-induced agranulocytosis is associated with rare HLA-DQB1 and HLA-B allelesJacqueline I Goldstein, L Fredrik Jarskog, Chris Hilliard, et al.Environmental Health Perspectives|February 25, 2016
CERAPP: Collaborative Estrogen Receptor Activity Prediction ProjectKamel Mansouri, Ahmed Abdelaziz, Aleksandra Rybacka, et al.Computational and Structural Biotechnology Journal|April 1, 2020
NanoSolveIT Project: Driving nanoinformatics research to develop innovative and integrated tools for in silico nanosafety assessmentAntreas Afantitis, Georgia Melagraki, Panagiotis Isigonis, et al.Environmental Health Perspectives|February 20, 2020
CoMPARA: Collaborative Modeling Project for Androgen Receptor ActivityKamel Mansouri, Nicole Kleinstreuer, Ahmed M Abdelaziz, et al.Pageof 26