Lista de obras -

A self-organizing algorithm for molecular alignment and pharmacophore development

artículo científico publicado en 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.

artículo científico publicado en 2005

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

artículo científico publicado en 2016

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

artículo científico publicado en 2019

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

artículo científico publicado en 2017

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

artículo científico publicado en 2013

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

artículo científico publicado en 2017

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

artículo científico publicado en 2006

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

artículo científico

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

artículo científico publicado en 2009

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

artículo científico publicado en 2009

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

artículo científico publicado en 2019

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

artículo científico publicado en 2014

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

artículo científico publicado en 2007

Perspectives on the discovery of small-molecule modulators for epigenetic processes

artículo científico publicado en 2012

Radial clustergrams: visualizing the aggregate properties of hierarchical clusters

artículo científico publicado en 2007

Recent advances in chemoinformatics

artículo científico publicado en 2007

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

artículo científico publicado en 2019

Stochastic Proximity Embedding: Methods and Applications.

artículo científico publicado en 2010

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

artículo científico publicado en 2006

Lista de obras de

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.