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BMCBI
2010
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14 years 3 days ago
Protein docking by Rotation-Based Uniform Sampling (RotBUS) with fast computing of intermolecular contact distance and residue d
Background: Protein-protein interactions are fundamental for the majority of cellular processes and their study is of enormous biotechnological and therapeutic interest. In recent...
Albert Solernou, Juan Fernández-Recio
ASPLOS
2009
ACM
15 years 19 days ago
GPU acceleration of a production molecular docking code
Abstract: Modeling the interactions of biological molecules, or docking, is critical to both understanding basic life processes and to designing new drugs. Here we describe the GPU...
Bharat Sukhwani, Martin C. Herbordt