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Journal of Computer-Aided Molecular Design|July 24, 2020
Modeling Epac1 interactions with the allosteric inhibitor AM-001 by co-solvent molecular dynamicsMarianna Bufano, Marion Laudette, Jean-Paul Blondeau, et al.Journal of Computer-Aided Molecular Design|August 20, 2020
Monomer structure fingerprints: an extension of the monomer composition version for peptide databasesAmmar Abdo, Eissa Ghaleb, Naser K A Alajmi, et al.Journal of Computer-Aided Molecular Design|August 25, 2020
Design and tests of prospective property predictions for novel antimalarial 2-aminopropylaminoquinolonesRobert D Clark, Denise N Morris, Gary Chinigo, et al.Journal of Computer-Aided Molecular Design|July 1, 2020
Novel phosphatidylinositol 4-kinases III beta (PI4KIIIβ) inhibitors discovered by virtual screening using free energy modelsNatalie M Colodette, Lucas S Franco, Rodolfo C Maia, et al.Journal of Computer-Aided Molecular Design|April 17, 2015
Computational docking simulations of a DNA-aptamer for argininamide and related ligandsH Bauke Albada, Eyal Golub, Itamar WillnerJournal of Computer-Aided Molecular Design|January 5, 2002
Free energy force field (FEFF) 3D-QSAR analysis of a set of Plasmodium falciparum dihydrofolate reductase inhibitorsO A Santos-Filho, R K Mishra, A J HopfingerJournal of Computer-Aided Molecular Design|January 5, 2002
Electrostatic and structural similarity of classical and non-classical lactam compoundsM Coll, J Frau, B Vilanova, et al.Journal of Computer-Aided Molecular Design|January 5, 2002
Calculating the knowledge-based similarity of functional groups using crystallographic dataP Watson, P Willett, V J Gillet, et al.Journal of Computer-Aided Molecular Design|August 22, 2002
Modified AutoDock for accurate docking of protein kinase inhibitorsOleksandr V Buzko, Anthony C Bishop, Kevan M ShokatJournal of Computer-Aided Molecular Design|August 22, 2002
Charge-transfer interactions in the inhibition of MAO-A by phenylisopropylamines--a QSAR studyGabriel Vallejos, Marcos Caroli Rezende, Bruce K CasselsPageof 265