Inhibitors of Helicobacter pylori Protease HtrA Found by ‘Virtual Ligand’ Screening Combat Bacterial Invasion of Epithelia

Helicobacter pylori HtrA is a new secreted virulence factor that cleaves E-cadherin to disrupt intercellular adhesion

(2010) Benjamin Hoy et al.   EMBO REPORTS

Corrections to A Medicinal Chemist’s Guide to Molecular Interactions

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

Automatic identification and representation of protein binding sites for molecular docking

(2010) Jim Ruppert et al.   PROTEIN SCIENCE

Structural basis of substrate specificity in the serine proteases

(2010) John J. Perona et al.   PROTEIN SCIENCE

Troubleshooting computational methods in drug discovery

(2010) Sandhya Kortagere et al.   JOURNAL OF PHARMACOLOGICAL AND TOXICOLOGICAL METHODS

G Protein-Coupled Receptors: Target-Based In Silico Screening

(2009) Hanoch Senderowitz et al.   CURRENT PHARMACEUTICAL DESIGN

Form follows function: Shape analysis of protein cavities for receptor-based drug design

(2009) Martin Weisel et al.   PROTEOMICS

Combining docking with pharmacophore filtering for improved virtual screening

(2009) Megan L Peach et al.   Journal of Cheminformatics

The cell-cell adhesion molecule E-cadherin

(2008) F. van Roy et al.   CELLULAR AND MOLECULAR LIFE SCIENCES

Hot-Spots-Guided Receptor-Based Pharmacophores (HS-Pharm): A Knowledge-Based Approach to Identify Ligand-Anchoring Atoms in Protein Cavities and Prioritize Structure-Based Pharmacophores

(2008) Caterina Barillari et al.   Journal of Chemical Information and Modeling

Targets Looking for Drugs: A Multistep Computational Protocol for the Development of Structure-Based Pharmacophores and Their Applications for Hit Discovery

(2008) Cristina Tintori et al.   Journal of Chemical Information and Modeling

Structure−Activity Landscape Index:  Identifying and Quantifying Activity Cliffs

(2008) Rajarshi Guha et al.   Journal of Chemical Information and Modeling

How to do an evaluation: pitfalls and traps

(2008) Paul C. D. Hawkins et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Essential Factors for Successful Virtual Screening

(2008) Markus Seifert et al.   MINI-REVIEWS IN MEDICINAL CHEMISTRY

Structural basis for the regulated protease and chaperone function of DegP

(2008) Tobias Krojer et al.   NATURE

Prediction of Extracellular Proteases of the Human Pathogen Helicobacter pylori Reveals Proteolytic Activity of the Hp1018/19 Protein HtrA

(2008) Martin Löwer et al.   PLoS One

New concepts of resistance in the treatment of Helicobacter pylori infections

(2008) David Y Graham et al.   Nature clinical practice. Gastroenterology & hepatology