Postprocessing potential hitsOur tools are not limited to only providing a score that can be used to rank ligands. We graphically represent ligands, showing their Electrostatic...
Citation Synthesis and Anti-Trypanosoma cruzi Activity of 3-Cyanopyridine DerivativesACS Omega | 2024 Brian W. Slafer, Marco A. Dessoy, Ramon G. de Oliveira, Maria C. Mollo, Eun Lee, An Matheeussen, Louis Maes, Guy Caljon, Leonardo...
Citation Field-based 3D-QSAR for tyrosine protein kinase JAK-2 inhibitorsJournal of Biomolecular Structure and Dynamics | 2024 Andole, S., Thumma, G., Alavala, R. R., & Gangarapu, K. (2024). Field-based 3D-QSAR...
Citation Exploring the anti-SARS-CoV-2 main protease potential of FDA approved marine drugs using integrated machine learning templates as predictive toolsINTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES | 2022 Naila Attiq, Uzma Arshad, Simone Brogi, Nusrat Shafiq, Fazeelat Imtiaz, Shagufta...
Case study Investigating the SAR of RIPK1 inhibitorsChinese Sylvie Sciammetta† †Cresset, New Cambridge House, Bassingbourn Road, Litlington, Cambridgeshire, SG8 0SS, UK Abstract Understanding...
Citation Field-based rational design of p300 histone acetyltransferase inhibitor and systematic evaluation as an anti-fibrotic agentCHEMICAL COMMUNICATIONS | 2020 Soo-Yeon Hwang, Soo-Yeon Park, Jung Yeon Hong, Soo Yeon Lee, Jae-Ho Shin, Younghwa Na, Myung Hyun Sohn, Ho-Geun...
