Fragment Deconstruction of Small, Potent Factor Xa Inhibitors: Exploring the Superadditivity Energetics of Fragment Linking in Protein-Ligand Complexes

Entering the Era of Non-Basic P1 Site Groups: Discovery of Xarelto™ (Rivaroxaban)

(2010) Alexander Straub et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Extending pKa prediction accuracy: High-throughput pKa measurements to understand pKa modulation of new chemical series

(2010) Francesca Milletti et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Fragment-Based Deconstruction of Bcl-xLInhibitors

(2010) Sarah Barelier et al.   JOURNAL OF MEDICINAL CHEMISTRY

An Analysis of the Binding Efficiencies of Drugs and Their Leads in Successful Drug Discovery Programs

(2010) Emanuele Perola   JOURNAL OF MEDICINAL CHEMISTRY

Entropic Contribution to the Linking Coefficient in Fragment Based Drug Design: A Case Study

(2010) Valentina Borsi et al.   JOURNAL OF MEDICINAL CHEMISTRY

Factor Xa Inhibitors: Next-Generation Antithrombotic Agents

(2010) Donald J. P. Pinto et al.   JOURNAL OF MEDICINAL CHEMISTRY

Non-additivity of Functional Group Contributions in Protein–Ligand Binding: A Comprehensive Study by Crystallography and Isothermal Titration Calorimetry

(2010) Bernhard Baum et al.   JOURNAL OF MOLECULAR BIOLOGY

Evidence for CCl/CBr⋅⋅⋅π Interactions as an Important Contribution to Protein-Ligand Binding Affinity

(2009) Hans Matter et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Cation-π Interactions at the Active Site of Factor Xa: Dramatic Enhancement upon Stepwise N-Alkylation of Ammonium Ions

(2008) Laura M. Salonen et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Design, Structure−Activity Relationships, X-ray Crystal Structure, and Energetic Contributions of a Critical P1 Pharmacophore: 3-Chloroindole-7-yl-Based Factor Xa Inhibitors⊥‡

(2008) Yan Shi et al.   JOURNAL OF MEDICINAL CHEMISTRY

Recent Developments in Fragment-Based Drug Discovery

(2008) Miles Congreve et al.   JOURNAL OF MEDICINAL CHEMISTRY