ICM—a new method for protein modeling and design: applications to docking and structure prediction from the distorted native conformation

Derivation of sensitive discrimination potential for virtual ligand screening

RECOMB '99 Proceedings of the third annual international conference on Computational molecular biology

Ligand discovery on massively parallel systems

IBM Journal of Research and Development

Protein Structure Prediction with Large Neighborhood Constraint Programming Search

CP '08 Proceedings of the 14th international conference on Principles and Practice of Constraint Programming

Docking arachidonic acid to 8R-lipoxygenase using internal coordinate mechanics

Proceedings of the First ACM International Conference on Bioinformatics and Computational Biology

Toward a Robust Search Method for the Protein-Drug Docking Problem

IEEE/ACM Transactions on Computational Biology and Bioinformatics (TCBB)

On Lattice Protein Structure Prediction Revisited

IEEE/ACM Transactions on Computational Biology and Bioinformatics (TCBB)

A scalable and accurate method for classifying protein-ligand binding geometries using a MapReduce approach

Computers in Biology and Medicine

QuickVina: Accelerating AutoDock Vina Using Gradient-Based Heuristics for Global Optimization

IEEE/ACM Transactions on Computational Biology and Bioinformatics (TCBB)

Improving differential evolution accuracy for flexible ligand docking using a multi-solution strategy

IDEAL'12 Proceedings of the 13th international conference on Intelligent Data Engineering and Automated Learning