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List of works by Mahendra Awale

A multi-fingerprint browser for the ZINC database

scientific article

Discovery and characterization of a novel non-competitive inhibitor of the divalent metal transporter DMT1/SLC11A2.

scientific article published on 3 June 2015

Discovery of a Selective Aurora A Kinase Inhibitor by Virtual Screening

scientific article

Discovery of potent positive allosteric modulators of the α3β2 nicotinic acetylcholine receptor by a chemical space walk in ChEMBL.

scientific article

Expanding the fragrance chemical space for virtual screening

scientific article

Exploring chemical space for drug discovery using the chemical universe database

scientific article

MQN-mapplet: visualization of chemical space with interactive maps of DrugBank, ChEMBL, PubChem, GDB-11, and GDB-13.

scientific article

Matched Molecular Series Analysis for ADME Property Prediction

scientific article published on 05 May 2020

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

scientific article

SMIfp (SMILES fingerprint) chemical space for virtual screening and visualization of large databases of organic molecules

scientific article

Similarity Mapplet: Interactive Visualization of the Directory of Useful Decoys and ChEMBL in High Dimensional Chemical Spaces

scientific article published on 24 July 2015

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

scientific article (publication date: 2015)

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

scientific article

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

scientific article (publication date: 2016)

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