Showing results (671-680 of 2,625) with videos related to
Sort By:
Pageof 263
Journal of Computer-Aided Molecular Design|February 1, 1994
Structure-based identification and clustering of protein families and superfamiliesS D Rufino, T L BlundellJournal of Computer-Aided Molecular Design|March 29, 2022
Ligand-based approaches to activity prediction for the early stage of structure-activity-relationship progressionItsuki Maeda, Akinori Sato, Shunsuke Tamura, et al.Journal of Computer-Aided Molecular Design|December 11, 2023
QM assisted ML for 19F NMR chemical shift predictionPatrick Penner, Anna VulpettiJournal of Computer-Aided Molecular Design|August 3, 2023
Complex peptide macrocycle optimization: combining NMR restraints with conformational analysis to guide structure-based and ligand-based designAjay N Jain, Alexander C Brueckner, Christine Jorge, et al.Journal of Computer-Aided Molecular Design|August 19, 2023
Computational workflow for discovering small molecular binders for shallow binding sites by integrating molecular dynamics simulation, pharmacophore modeling, and machine learning: STAT3 as case studyNour Jamal Jaradat, Mamon Hatmal, Dana Alqudah, et al.Journal of Computer-Aided Molecular Design|August 24, 2023
ChemFlow_py: a flexible toolkit for docking and rescoringLuca Monari, Katia Galentino, Marco CecchiniJournal of Computer-Aided Molecular Design|September 30, 2023
TeM-DTBA: time-efficient drug target binding affinity prediction using multiple modalities with Lasso feature selectionTanya Liyaqat, Tanvir Ahmad, Chandni SaxenaJournal of Computer-Aided Molecular Design|July 24, 2023
Enhancement by pyrazolones of colistin efficacy against mcr-1-expressing E. coli: an in silico and in vitro investigationChonnikan Hanpaibool, Puey Ounjai, Sirilata Yotphan, et al.Journal of Computer-Aided Molecular Design|March 26, 2003
Structure-based QSAR study on differential inhibition of human prostaglandin endoperoxide H synthase-2 (COX-2) by nonsteroidal anti-inflammatory drugsR Pouplana, J J Lozano, C Pérez, et al.Journal of Computer-Aided Molecular Design|October 29, 2002
HEPT derivatives as non-nucleoside inhibitors of HIV-1 reverse transcriptase: QSAR studies agree with the crystal structuresAnderson Coser Gaudio, Carlos Alberto MontanariPageof 263