Fast docking using the CHARMM force field with EADock DSS

Rational Design of Indoleamine 2,3-Dioxygenase Inhibitors

(2010) Ute F. Röhrig et al.   JOURNAL OF MEDICINAL CHEMISTRY

Use of the FACTS solvation model for protein-ligand docking calculations. Application to EADock

(2010) Vincent Zoete et al.   JOURNAL OF MOLECULAR RECOGNITION

Virtual screening: an endless staircase?

(2010) Gisbert Schneider   NATURE REVIEWS DRUG DISCOVERY

Docking Screens: Right for the Right Reasons?

(2009) Peter Kolb et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Docking, virtual high throughput screening and in silico fragment-based drug design

(2009) Vincent Zoete et al.   JOURNAL OF CELLULAR AND MOLECULAR MEDICINE

Blind docking of 260 protein-ligand complexes with EADock 2.0

(2009) Aurélien Grosdidier et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

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

CHARMM: The biomolecular simulation program

(2009) B. R. Brooks et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

In vitro biotransformation of imatinib by the tumor expressed CYP1A1 and CYP1B1

(2008) Bertrand Rochat et al.   BIOPHARMACEUTICS & DRUG DISPOSITION

Improving accuracy and efficiency of blind protein-ligand docking by focusing on predicted binding sites

(2008) Dario Ghersi et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

FACTS: Fast analytical continuum treatment of solvation

(2007) Urs Haberthür et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY