SPILLO-PBSS: Detecting hidden binding sites within protein 3D-structures through a flexible structure-based approach

Advances in multiparameter optimization methods forde novodrug design

(2014) Matthew Segall   Expert Opinion on Drug Discovery

Binding Site Detection and Druggability Prediction of Protein Targets for Structure- Based Drug Design

(2013) Yaxia Yuan et al.   CURRENT PHARMACEUTICAL DESIGN

Considering the impact drug-like properties have on the chance of success

(2013) Iskander Yusof et al.   DRUG DISCOVERY TODAY

Hydration Properties of Ligands and Drugs in Protein Binding Sites: Tightly-Bound, Bridging Water Molecules and Their Effects and Consequences on Molecular Design Strategies

(2013) Alfonso T. García-Sosa   Journal of Chemical Information and Modeling

PELE web server: atomistic study of biomolecular systems at your fingertips

(2013) Armin Madadkar-Sobhani et al.   NUCLEIC ACIDS RESEARCH

Drug Promiscuity in PDB: Protein Binding Site Similarity Is Key

(2013) V. Joachim Haupt et al.   PLoS One

Molecular Property Filters Describing Pharmacokinetics and Drug Binding

(2012) A. T. Garcia-Sosa et al.   CURRENT MEDICINAL CHEMISTRY

Structure-based druggability assessment—identifying suitable targets for small molecule therapeutics

(2011) Eric B Fauman et al.   CURRENT OPINION IN CHEMICAL BIOLOGY

Structures of the atlastin GTPase provide insight into homotypic fusion of endoplasmic reticulum membranes

(2011) X. Bian et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Toward prediction of functional protein pockets using blind docking and pocket search algorithms

(2011) Csaba Hetényi et al.   PROTEIN SCIENCE

Ras trafficking, localization and compartmentalized signalling

(2011) Ian A. Prior et al.   SEMINARS IN CELL & DEVELOPMENTAL BIOLOGY

Druggable pockets and binding site centric chemical space: a paradigm shift in drug discovery

(2010) Stéphanie Pérot et al.   DRUG DISCOVERY TODAY

Crystal Structures of a Cysteine-modified Mutant in Loop D of Acetylcholine-binding Protein

(2010) Marijke Brams et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

A Medicinal Chemist’s Guide to Molecular Interactions

(2010) Caterina Bissantz et al.   JOURNAL OF MEDICINAL CHEMISTRY

Conformational Transitions upon Ligand Binding: Holo-Structure Prediction from Apo Conformations

(2010) Daniel Seeliger et al.   PLoS Computational Biology

Fpocket: An open source platform for ligand pocket detection

(2009) Vincent Le Guilloux et al.   BMC BIOINFORMATICS

SITEHOUND-web: a server for ligand binding site identification in protein structures

(2009) M. Hernandez et al.   NUCLEIC ACIDS RESEARCH

Drugs and their molecular targets: an updated overview

(2008) Yves Landry et al.   FUNDAMENTAL & CLINICAL PHARMACOLOGY