Screening of benzamidine-based thrombin inhibitors via a linear interaction energy in continuum electrostatics model. - Orazio Nicolotti; Ilenia Giangreco; Teresa Fabiola Miscioscia; Marino Convertino; Francesco Leonetti 001; Leonardo Pisani; Angelo Carotti (J. Comput. Aided Mol. Des., 2010)

ApoE4-specific Misfolded Intermediate Identified by Molecular Dynamics Simulations. - Benfeard Williams II; Marino Convertino; Jhuma Das; Nikolay V. Dokholyan (PLoS Comput. Biol., 2015)

Docking and Scoring with Target-Specific Pose Classifier Succeeds in Native-Like Pose Identification But Not Binding Affinity Prediction in the CSAR 2014 Benchmark Exercise. - Regina Politi; Marino Convertino; Konstantin I. Popov; Nikolay V. Dokholyan; Alexander Tropsha (J. Chem. Inf. Model., 2016)

Discovery of Novel Adenosine Receptor Antagonists through a Combined Structure- and Ligand-Based Approach Followed by Molecular Dynamics Investigation of Ligand Binding Mode. - Panagiotis Lagarias; Eleni Vrontaki; George Lambrinidis; Dimitrios Stamatis; Marino Convertino; Gabriella Ortore; Thomas M. Mavromoustakos; Karl Norbert Klotz; Antonios Kolocouris (J. Chem. Inf. Model., 2018)