Structure-based discovery of the first allosteric inhibitors of cyclin-dependent kinase 2

Emerging Topics in Structure-Based Virtual Screening

(2013) Giulio Rastelli   PHARMACEUTICAL RESEARCH

Strategies for the Selective Regulation of Kinases with Allosteric Modulators: Exploiting Exclusive Structural Features

(2012) Zhizhou Fang et al.   ACS Chemical Biology

A Novel Approach to the Discovery of Small-Molecule Ligands of CDK2

(2012) Mathew P. Martin et al.   CHEMBIOCHEM

New Directions in Targeting Protein Kinases: Focusing Upon True Allosteric and Bivalent Inhibitors

(2012) Vandana Lamba et al.   CURRENT PHARMACEUTICAL DESIGN

αC helix displacement as a general approach for allosteric modulation of protein kinases

(2012) Lorenzo Palmieri et al.   DRUG DISCOVERY TODAY

Application of a post-docking procedure based on MM-PBSA and MM-GBSA on single and multiple protein conformations

(2012) Miriam Sgobba et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

ZINC: A Free Tool to Discover Chemistry for Biology

(2012) John J. Irwin et al.   Journal of Chemical Information and Modeling

Discovery of a Potential Allosteric Ligand Binding Site in CDK2

(2011) Stephane Betzi et al.   ACS Chemical Biology

Probing the links between in vitro potency, ADMET and physicochemical parameters

(2011) M. Paul Gleeson et al.   NATURE REVIEWS DRUG DISCOVERY

Drug discovery and the human kinome: Recent trends

(2011) Richard Eglen et al.   PHARMACOLOGY & THERAPEUTICS

Open Babel: An open chemical toolbox

(2011) Noel M O'Boyle et al.   Journal of Cheminformatics

Proteus in the World of Proteins: Conformational Changes in Protein Kinases

(2010) Matthias Rabiller et al.   ARCHIV DER PHARMAZIE

Fluorophore Labeling of the Glycine-Rich Loop as a Method of Identifying Inhibitors That Bind to Active and Inactive Kinase Conformations†

(2010) Jeffrey R. Simard et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Recent developments in cyclin-dependent kinase biochemical and structural studies

(2009) Aude Echalier et al.   BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS

Design and Discovery of Plasmepsin II Inhibitors Using an Automated Workflow on Large-Scale Grids

(2009) Gianluca Degliesposti et al.   ChemMedChem

A Novel Class of Cyclin-dependent Kinase Inhibitors Identified by Molecular Docking Act through a Unique Mechanism

(2009) Patrick Corsino et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

(2009) Garrett M. Morris et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Cell cycle kinases as therapeutic targets for cancer

(2009) Silvia Lapenna et al.   NATURE REVIEWS DRUG DISCOVERY