High-Throughput parallel blind Virtual Screening using BINDSURF

How Does a Drug Molecule Find Its Target Binding Site?

(2011) Yibing Shan et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Pathway and mechanism of drug binding to G-protein-coupled receptors

(2011) Ron O. Dror et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Complete reconstruction of an enzyme-inhibitor binding process by molecular dynamics simulations

(2011) I. Buch et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Optimization Methods for Virtual Screening on Novel Computational Architectures

(2010) Horacio Perez-Sanchez et al.   Current Computer-Aided Drug Design

Advances and Challenges in Protein-Ligand Docking

(2010) Sheng-You Huang et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Multiple binding sites for the general anesthetic isoflurane identified in the nicotinic acetylcholine receptor transmembrane domain

(2010) G. Brannigan et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Comparison of Several Molecular Docking Programs: Pose Prediction and Virtual Screening Accuracy

(2009) Jason B. Cross et al.   Journal of Chemical Information and Modeling

Flexible Side Chain Models Improve Enrichment Rates in In Silico Screening

(2008) Daria B. Kokh et al.   JOURNAL OF MEDICINAL CHEMISTRY

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