Ensemble pharmacophore meets ensemble docking: a novel screening strategy for the identification of RIPK1 inhibitors

Necroptosis: Who Knew There were so Many Interesting Ways to Die?

(2014) S.M. Fayaz et al.   CNS & Neurological Disorders-Drug Targets

Necroptosis in Immunity and Ischemia-Reperfusion Injury

(2013) A. Linkermann et al.   AMERICAN JOURNAL OF TRANSPLANTATION

A novel necroptosis inhibitor—necrostatin-21 and its SAR study

(2013) Zhijie Wu et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

A Novel Multi-Target Drug Screening Strategy Directed Against Key Proteins of DAPk Family

(2013) Syam B. Nair et al.   COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING

Development of purely structure-based pharmacophores for the topoisomerase I-DNA-ligand binding pocket

(2013) Malgorzata N. Drwal et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Identification of novel inhibitors against Mycobacterium tuberculosis l-alanine dehydrogenase (MTB-AlaDH) through structure-based virtual screening

(2013) Shalini Saxena et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Structural Basis of RIP1 Inhibition by Necrostatins

(2013) Tian Xie et al.   STRUCTURE

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

(2013) Philip A. Harris et al.   ACS Medicinal Chemistry Letters

Fluorescence polarization assay for inhibitors of the kinase domain of receptor interacting protein 1

(2012) Jenny L. Maki et al.   ANALYTICAL BIOCHEMISTRY

Ligand-Based Virtual Screening Approach Using a New Scoring Function

(2012) Adel Hamza et al.   Journal of Chemical Information and Modeling

LigPlot+: Multiple Ligand–Protein Interaction Diagrams for Drug Discovery

(2011) Roman A. Laskowski et al.   Journal of Chemical Information and Modeling

Pharmacophore modeling and applications in drug discovery: challenges and recent advances

(2010) Sheng-Yong Yang   DRUG DISCOVERY TODAY

Docking-enabled pharmacophore model for histone deacetylase 8 inhibitors and its application in anti-cancer drug discovery

(2010) Thangapandian Sundarapandian et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Cell death during sepsis: integration of disintegration in the inflammatory response to overwhelming infection

(2009) Fabiano Pinheiro da Silva et al.   APOPTOSIS

RIP Kinases at the Crossroads of Cell Death and Survival

(2009) Wim Declercq et al.   CELL

Receptor Interacting Protein Kinase-3 Determines Cellular Necrotic Response to TNF-α

(2009) Sudan He et al.   CELL

Novel Method for Generating Structure-Based Pharmacophores Using Energetic Analysis

(2009) Noeris K. Salam et al.   Journal of Chemical Information and Modeling

RIP3, an Energy Metabolism Regulator That Switches TNF-Induced Cell Death from Apoptosis to Necrosis

(2009) D.-W. Zhang et al.   SCIENCE

Protein−Ligand Docking against Non-Native Protein Conformers

(2008) Marcel L. Verdonk et al.   Journal of Chemical Information and Modeling

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

Recommendations for evaluation of computational methods

(2008) Ajay N. Jain et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Towards more accurate pharmacophore modeling: Multicomplex-based comprehensive pharmacophore map and most-frequent-feature pharmacophore model of CDK2

(2008) Jun Zou et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Identification of RIP1 kinase as a specific cellular target of necrostatins

(2008) Alexei Degterev et al.   Nature Chemical Biology

Antigen-mediated T cell expansion regulated by parallel pathways of death

(2008) I. L. Ch'en et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Molecule-pharmacophore superpositioning and pattern matching in computational drug design

(2007) G WOLBER   DRUG DISCOVERY TODAY