Exploring Chemical Space for Drug Discovery Using the Chemical Universe Database

Por Reymond, Jean-Louis, Awale, Mahendra
Publicado em 2012

A multi-fingerprint browser for the ZINC database

Por Awale, Mahendra, Reymond, Jean-Louis
Publicado em 2014

Web-based 3D-visualization of the DrugBank chemical space

Por Awale, Mahendra, Reymond, Jean-Louis
Publicado no J Cheminform (2016)

The polypharmacology browser: a web-based multi-fingerprint target prediction tool using ChEMBL bioactivity data

Por Awale, Mahendra, Reymond, Jean-Louis
Publicado no J Cheminform (2017)

Expanding the fragrance chemical space for virtual screening

Por Ruddigkeit, Lars, Awale, Mahendra, Reymond, Jean-Louis
Publicado em 2014

Stereoselective virtual screening of the ZINC database using atom pair 3D-fingerprints

Por Awale, Mahendra, Jin, Xian, Reymond, Jean-Louis
Publicado no J Cheminform (2015)

PDB-Explorer: a web-based interactive map of the protein data bank in shape space

Por Jin, Xian, Awale, Mahendra, Zasso, Michaël, Kostro, Daniel, Patiny, Luc, Reymond, Jean-Louis
Publicado no BMC Bioinformatics (2015)

Discovery of Potent Positive Allosteric Modulators of the α3β2 Nicotinic Acetylcholine Receptor by a Chemical Space Walk in ChEMBL

Por Bürgi, Justus J., Awale, Mahendra, Boss, Silvan D., Schaer, Tifany, Marger, Fabrice, Viveros-Paredes, Juan M., Bertrand, Sonia, Gertsch, Jürg, Bertrand, Daniel, Reymond, Jean-Louis
Publicado em 2014