List of works - Deepak Bandyopadhyay

A self-organizing algorithm for molecular alignment and pharmacophore development

scientific article published in April 2008

Almost-Delaunay simplices: Robust neighbor relations for imprecise 3D points using CGAL

article

Comparing graph representations of protein structure for mining family-specific residue-based packing motifs.

scientific article

DNA-Encoded Library Screening Identifies Benzo[b][1,4]oxazepin-4-ones as Highly Potent and Monoselective Receptor Interacting Protein 1 Kinase Inhibitors

scientific article

Discovery and Lead-Optimization of 4,5-Dihydropyrazoles as Mono-Kinase Selective, Orally Bioavailable and Efficacious Inhibitors of Receptor Interacting Protein 1 (RIP1) Kinase

scientific article published on 02 May 2019

Discovery and electrophysiological characterization of SKF-32802: A novel hERG agonist found through a large-scale structural similarity search

scientific article published on 16 October 2017

Discovery of Small Molecule RIP1 Kinase Inhibitors for the Treatment of Pathologies Associated with Necroptosis

scientific article

Discovery of a First-in-Class Receptor Interacting Protein 1 (RIP1) Kinase Specific Clinical Candidate (GSK2982772) for the Treatment of Inflammatory Diseases.

scientific article

Distance-based identification of structure motifs in proteins using constrained frequent subgraph mining.

scientific article

Functional neighbors: inferring relationships between nonhomologous protein families using family-specific packing motifs

scientific article published on 21 June 2010

Identification of family-specific residue packing motifs and their use for structure-based protein function prediction: I. Method development.

scientific article

Identification of family-specific residue packing motifs and their use for structure-based protein function prediction: II. Case studies and applications

scientific article

Identification via a Parallel Hit Progression Strategy of Improved Small Molecule Inhibitors of the Malaria Purine Uptake Transporter that Inhibit Plasmodium falciparum Parasite Proliferation

scientific article published on 14 August 2019

Mining Natural-Products Screening Data for Target-Class Chemical Motifs

scientific article

On the effects of permuted input on conformational sampling of drug-like molecules: an evaluation of stochastic proximity embedding.

scientific article published in August 2007

Perspectives on the Discovery of Small-Molecule Modulators for Epigenetic Processes ⬇️

scientific article published on March 5, 2012

Radial clustergrams: visualizing the aggregate properties of hierarchical clusters

scientific article published on 01 January 2007

Recent advances in chemoinformatics

scientific article published on 19 May 2007

Scaffold-Based Analytics: Enabling Hit-to-Lead Decisions by Visualizing Chemical Series Linked across Large Datasets

scientific article published on 29 October 2019

Stochastic Proximity Embedding: Methods and Applications.

scientific article

Structure-based function inference using protein family-specific fingerprints.

scientific article

List of works by Deepak Bandyopadhyay

A self-organizing algorithm for molecular alignment and pharmacophore development

Almost-Delaunay simplices: Robust neighbor relations for imprecise 3D points using CGAL

Comparing graph representations of protein structure for mining family-specific residue-based packing motifs.

DNA-Encoded Library Screening Identifies Benzo[b][1,4]oxazepin-4-ones as Highly Potent and Monoselective Receptor Interacting Protein 1 Kinase Inhibitors

Discovery and Lead-Optimization of 4,5-Dihydropyrazoles as Mono-Kinase Selective, Orally Bioavailable and Efficacious Inhibitors of Receptor Interacting Protein 1 (RIP1) Kinase

Discovery and electrophysiological characterization of SKF-32802: A novel hERG agonist found through a large-scale structural similarity search

Discovery of Small Molecule RIP1 Kinase Inhibitors for the Treatment of Pathologies Associated with Necroptosis

Discovery of a First-in-Class Receptor Interacting Protein 1 (RIP1) Kinase Specific Clinical Candidate (GSK2982772) for the Treatment of Inflammatory Diseases.

Distance-based identification of structure motifs in proteins using constrained frequent subgraph mining.

Functional neighbors: inferring relationships between nonhomologous protein families using family-specific packing motifs

Identification of family-specific residue packing motifs and their use for structure-based protein function prediction: I. Method development.

Identification of family-specific residue packing motifs and their use for structure-based protein function prediction: II. Case studies and applications

Identification via a Parallel Hit Progression Strategy of Improved Small Molecule Inhibitors of the Malaria Purine Uptake Transporter that Inhibit Plasmodium falciparum Parasite Proliferation

Mining Natural-Products Screening Data for Target-Class Chemical Motifs

On the effects of permuted input on conformational sampling of drug-like molecules: an evaluation of stochastic proximity embedding.

Perspectives on the Discovery of Small-Molecule Modulators for Epigenetic Processes ⬇️

Radial clustergrams: visualizing the aggregate properties of hierarchical clusters

Recent advances in chemoinformatics

Scaffold-Based Analytics: Enabling Hit-to-Lead Decisions by Visualizing Chemical Series Linked across Large Datasets

Stochastic Proximity Embedding: Methods and Applications.

Structure-based function inference using protein family-specific fingerprints.