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Conformational Transitions upon Ligand Binding: Holo-Structure Prediction from Apo Conformations., and . PLoS Computational Biology, (2010)pmx: Automated protein structure and topology generation for alchemical perturbations., , , and . Journal of Computational Chemistry, 36 (5): 348-354 (2015)Best bang for your buck: GPU nodes for GROMACS biomolecular simulations., , , , , and . CoRR, (2015)Improved GROMACS Scaling on Ethernet Switched Clusters., , , , , , and . PVM/MPI, volume 4192 of Lecture Notes in Computer Science, page 404-405. Springer, (2006)tCONCOORD-GUI: Visually supported conformational sampling of bioactive molecules., and . Journal of Computational Chemistry, 30 (7): 1160-1166 (2009)A comparison of techniques for calculating protein essential dynamics., , , , and . Journal of Computational Chemistry, 18 (2): 169-181 (1997)Speeding up parallel GROMACS on high-latency networks., , , , , , and . Journal of Computational Chemistry, 28 (12): 2075-2084 (2007)Ligand docking and binding site analysis with PyMOL and Autodock/Vina., and . Journal of Computer-Aided Molecular Design, 24 (5): 417-422 (2010)pmx Webserver: A User Friendly Interface for Alchemistry., and . Journal of Chemical Information and Modeling, 57 (2): 109-114 (2017)Spontaneous Quaternary and Tertiary T-R Transitions of Human Hemoglobin in Molecular Dynamics Simulation., , and . PLoS Computational Biology, (2010)