Angelica Mazzolari

发表

Prediction of the Formation of Reactive Metabolites by A Novel Classifier Approach Based on Enrichment Factor Optimization (EFO) as Implemented in the VEGA Program

Alessandro Pedretti, Angelica Mazzolari, Giulio Vistoli, 2018, Molecules.

VEGA ZZ : a versatile toolkit for drug design and protein modelling

Alessandro Pedretti, Angelica Mazzolari, Giulio Vistoli, 2008 .

Prediction of UGT-mediated Metabolism Using the Manually Curated MetaQSAR Database.

Andreas Bender, Avid M Afzal, Avid M. Afzal, 2019, ACS medicinal chemistry letters.

WarpEngine, a Flexible Platform for Distributed Computing Implemented in the VEGA Program and Specially Targeted for Virtual Screening Studies

Alessandro Pedretti, Angelica Mazzolari, Giulio Vistoli, 2018, J. Chem. Inf. Model..

Rescoring and Linearly Combining: A Highly Effective Consensus Strategy for Virtual Screening Campaigns

Alessandro Pedretti, Angelica Mazzolari, Giulio Vistoli, 2019, International journal of molecular sciences.

Homology modeling and metabolism prediction of human carboxylesterase-2 using docking analyses by GriDock: a parallelized tool based on AutoDock 4.0

Alessandro Pedretti, Angelica Mazzolari, Giulio Vistoli, 2010, J. Comput. Aided Mol. Des..

Tree2C: A Flexible Tool for Enabling Model Deployment with Special Focus on Cheminformatics Applications

Alessandro Pedretti, Angelica Mazzolari, Giulio Vistoli, 2020, Applied Sciences.

Binding Space Concept: A New Approach To Enhance the Reliability of Docking Scores and Its Application to Predicting Butyrylcholinesterase Hydrolytic Activity

Alessandro Pedretti, Angelica Mazzolari, Giulio Vistoli, 2017, J. Chem. Inf. Model..

FAME 3: Predicting the Sites of Metabolism in Synthetic Compounds and Natural Products for Phase 1 and Phase 2 Metabolic Enzymes

Daniel Svozil, Alessandro Pedretti, Johannes Kirchmair, 2019, J. Chem. Inf. Model..

The VEGA suite of programs: an versatile platform for cheminformatics and drug design projects

Alessandro Pedretti, Angelica Mazzolari, Silvia Gervasoni, 2020, Bioinform..

Approaching Pharmacological Space: Events and Components.

Alessandro Pedretti, Angelica Mazzolari, Giulio Vistoli, 2018, Methods in molecular biology.

Impact of the Journal of Chemical Information and Modeling Special Issue on Women in Computational Chemistry

Zoe Cournia, Rommie E Amaro, Kenneth M Merz, 2020, J. Chem. Inf. Model..

Structural Effects of Some Relevant Missense Mutations on the MECP2‐DNA Binding: A MD Study Analyzed by Rescore+, a Versatile Rescoring Tool of the VEGA ZZ Program

Alessandro Pedretti, Angelica Mazzolari, Giulio Vistoli, 2016, Molecular informatics.

In silico prediction of human carboxylesterase-1 (hCES1) metabolism combining docking analyses and MD simulations.

Alessandro Pedretti, Angelica Mazzolari, Giulio Vistoli, 2010, Bioorganic & medicinal chemistry.

Influence of Ionization State on the Activation of Temocapril by hCES1: A Molecular‐Dynamics Study

Alessandro Pedretti, Angelica Mazzolari, Giulio Vistoli, 2009, Chemistry & biodiversity.