Frog2: Efficient 3D conformation ensemble generator for small compounds

por Miteva, Maria A., Guyon, Frederic, Tufféry, Pierre
Publicado 2010

PCE: web tools to compute protein continuum electrostatics

por Miteva, Maria A., Tufféry, Pierre, Villoutreix, Bruno O.
Publicado 2005

Analyzing Effects of Naturally Occurring Missense Mutations

por Zhang, Zhe, Miteva, Maria A., Wang, Lin, Alexov, Emil
Publicado 2012

MS-DOCK: Accurate multiple conformation generator and rigid docking protocol for multi-step virtual ligand screening

por Sauton, Nicolas, Lagorce, David, Villoutreix, Bruno O, Miteva, Maria A
Publicado 2008

DG-AMMOS: A New tool to generate 3D conformation of small molecules using Distance Geometry and Automated Molecular Mechanics Optimization for in silico Screening

por Lagorce, David, Pencheva, Tania, Villoutreix, Bruno O, Miteva, Maria A
Publicado 2009

Computational analysis of calculated physicochemical and ADMET properties of protein-protein interaction inhibitors

por Lagorce, David, Douguet, Dominique, Miteva, Maria A., Villoutreix, Bruno O.
Publicado 2017

Exploring NMR ensembles of calcium binding proteins: Perspectives to design inhibitors of protein-protein interactions

por Isvoran, Adriana, Badel, Anne, Craescu, Constantin T, Miron, Simona, Miteva, Maria A
Publicado 2011

Computational analysis of protein-protein interfaces involving an alpha helix: insights for terphenyl–like molecules binding

por Isvoran, Adriana, Craciun, Dana, Martiny, Virginie, Sperandio, Olivier, Miteva, Maria A
Publicado 2013

Machine learning and structure-based modeling for the prediction of UDP-glucuronosyltransferase inhibition

por Dudas, Balint, Bagdad, Youcef, Picard, Milan, Perahia, David, Miteva, Maria A.
Publicado 2022

FAF-Drugs2: Free ADME/tox filtering tool to assist drug discovery and chemical biology projects

por Lagorce, David, Sperandio, Olivier, Galons, Hervé, Miteva, Maria A, Villoutreix, Bruno O
Publicado 2008

AMMOS: Automated Molecular Mechanics Optimization tool for in silico Screening

por Pencheva, Tania, Lagorce, David, Pajeva, Ilza, Villoutreix, Bruno O, Miteva, Maria A
Publicado 2008

Comparative structural and evolutionary analyses predict functional sites in the artemisinin resistance malaria protein K13

por Coppée, Romain, Jeffares, Daniel C., Miteva, Maria A., Sabbagh, Audrey, Clain, Jérôme
Publicado 2019

Rational Design of Small-Molecule Stabilizers of Spermine Synthase Dimer by Virtual Screening and Free Energy-Based Approach

por Zhang, Zhe, Martiny, Virginie, Lagorce, David, Ikeguchi, Yoshihiko, Alexov, Emil, Miteva, Maria A.
Publicado 2014

FAF-Drugs3: a web server for compound property calculation and chemical library design

por Lagorce, David, Sperandio, Olivier, Baell, Jonathan B., Miteva, Maria A., Villoutreix, Bruno O.
Publicado 2015

FAF-Drugs: free ADME/tox filtering of compound collections

por Miteva, Maria A., Violas, Stephanie, Montes, Matthieu, Gomez, David, Tuffery, Pierre, Villoutreix, Bruno O.
Publicado 2006

Screening Outside the Catalytic Site: Inhibition of Macromolecular Inter-actions Through Structure-Based Virtual Ligand Screening Experiments

por Sperandio, Olivier, Miteva, Maria A, Segers, Kenneth, Nicolaes, Gerry A. F, Villoutreix, Bruno O
Publicado 2008

Tyrosine Kinase Syk Non-Enzymatic Inhibitors and Potential Anti-Allergic Drug-Like Compounds Discovered by Virtual and In Vitro Screening

por Villoutreix, Bruno O., Laconde, Guillaume, Lagorce, David, Martineau, Pierre, Miteva, Maria A., Dariavach, Piona
Publicado 2011

Online structure-based screening of purchasable approved drugs and natural compounds: retrospective examples of drug repositioning on cancer targets

por Lagarde, Nathalie, Rey, Julien, Gyulkhandanyan, Aram, Tufféry, Pierre, Miteva, Maria A., Villoutreix, Bruno O.
Publicado 2018

Insights into the substrate binding mechanism of SULT1A1 through molecular dynamics with excited normal modes simulations

por Dudas, Balint, Toth, Daniel, Perahia, David, Nicot, Arnaud B., Balog, Erika, Miteva, Maria A.
Publicado 2021

In Silico Mechanistic Profiling to Probe Small Molecule Binding to Sulfotransferases

por Martiny, Virginie Y., Carbonell, Pablo, Lagorce, David, Villoutreix, Bruno O., Moroy, Gautier, Miteva, Maria A.
Publicado 2013