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Journal of Chemical Information and Modeling|August 10, 2010
FLAP: GRID molecular interaction fields in virtual screening. validation using the DUD data setSimon Cross, Massimo Baroni, Emanuele Carosati, et al.Chemmedchem|January 20, 2009
SHOP: a method for structure-based fragment and scaffold hoppingFabien Fontaine, Simon Cross, Guillem Plasencia, et al.Journal of Medicinal Chemistry|May 3, 2014
Optimization of small-molecule inhibitors of influenza virus polymerase: from thiophene-3-carboxamide to polyamido scaffoldsSusan Lepri, Giulio Nannetti, Giulia Muratore, et al.International Journal of Molecular Sciences|May 15, 2019
Interaction of Mycotoxin Alternariol with Serum AlbuminEszter Fliszár-Nyúl, Beáta Lemli, Sándor Kunsági-Máté, et al.ACS Medicinal Chemistry Letters|June 6, 2014
Ligand Promiscuity between the Efflux Pumps Human P-Glycoprotein and S. aureus NorAJean Pierre Brincat, Fabio Broccatelli, Stefano Sabatini, et al.Journal of Medicinal Chemistry|September 13, 2024
Between Theory and Practice: Computational/Experimental Integrated Approaches to Understand the Solubility and Lipophilicity of PROTACsAndrea Venturi, Stefano Di Bona, Jenny Desantis, et al.Heliyon|April 4, 2022
Technological insights on the Early-Middle Bronze Age pottery of Monte Meana cave (Sardinia, Italy)Giacomo Paglietti, Giuseppa Tanda, Rita Teresa Melis, et al.Journal of Molecular Graphics & Modelling|May 29, 2009
Visualisation of cyclic and multi-branched molecules with VMDSimon Cross, Michelle M Kuttel, John E Stone, et al.Journal of Chemical Information and Modeling|November 19, 2009
High-throughput virtual screening of proteins using GRID molecular interaction fieldsSimone Sciabola, Robert V Stanton, James E Mills, et al.Journal of Medicinal Chemistry|December 15, 2017
From Experiments to a Fast Easy-to-Use Computational Methodology to Predict Human Aldehyde Oxidase Selectivity and Metabolic ReactionsGabriele Cruciani, Nicolò Milani, Paolo Benedetti, et al.Pageof 19