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An Integrated Docking Pipeline for the Prediction of Large-Scale Protein-Protein Interactions
Found in: HPCMP Users Group Conference
By Xin Hu,Michael Lee,Kamal Kumar,Anders Wallqvist
Issue Date:June 2010
pp. 228-232
Knowledge of the three-dimensional (3D) structures of protein complexes provides a fundamental understanding of biological systems, as well as novel insights for antimicrobial drug and vaccine design. Protein-protein docking is used to predict the 3D struc...
Accelerating Biomedical Research in Designing Diagnostic Assays, Drugs, and Vaccines
Found in: Computing in Science and Engineering
By Anders Wallqvist, Nela Zavaljevski, Ravi Vijaya Satya, Rajkumar Bondugula, Valmik Desai, Xin Hu, Kamal Kumar, Michael Lee, In-Chul Yeh, Chenggang Yu
Issue Date:September 2010
pp. 46-55
The US Department of Defense Biotechnology High-Performance Computing Software Applications Institute for Force Health Protection develops state-of-the-art high-performance computing applications that accelerate biomedical research in the development of di...
Membrane Insertion Profiles of Peptides Probed by Molecular Dynamics Simulations
Found in: HPCMP Users Group Conference
By In-Chul Yeh, Mark A. Olson, Michael S. Lee, Anders Wallqvist
Issue Date:July 2008
pp. 208-213
Membrane insertion of small peptides plays important roles in antimicrobial defense, toxin actions, and viral infections. There have been experimental efforts to study this process with carefully designed synthetic peptides. Molecular dynamics simulation t...