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GeauxDock: A novel approach for mixed-resolution ligand docking using a descriptor-based force field.

Y. Ding, Y. Fang, W. Feinstein, J. Ramanujam, D. Koppelman, J. Moreno, M. Brylinski, and M. Jarrell. Journal of Computational Chemistry, 36 (27): 2013-2026 (2015)

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GeauxDock: A novel approach for mixed-resolution ligand docking using a descriptor-based force field.Y. Ding, Y. Fang, W. Feinstein, J. Ramanujam, D. Koppelman, J. Moreno, M. Brylinski, and M. Jarrell. Journal of Computational Chemistry, 36 (27): 2013-2026 (2015)Decoupling interaction hardware design using libraries of reusable electronics.R. Sankaran, B. Ullmer, J. Ramanujam, K. Kallakuri, S. Jandhyala, C. Toole, and C. Laan. Tangible and Embedded Interaction, page 331-337. ACM, (2009)Optimistic Delinearization of Parametrically Sized Arrays.T. Grosser, J. Ramanujam, L. Pouchet, P. Sadayappan, and S. Pop. ICS, page 351-360. ACM, (2015)Morphable Cache Architectures: Potential Benefits.I. Kadayif, M. Kandemir, N. Vijaykrishnan, M. Irwin, and J. Ramanujam. OM@PLDI, page 128-137. ACM, (2001)An innovative application execution toolkit for multicluster grids.Z. Yun, Z. Lei, G. Allen, D. Katz, T. Kosar, S. Jha, and J. Ramanujam. CLUSTER, page 1-4. IEEE Computer Society, (2009)Efficient address sequence generation for two-level mappings in High Performance Fortran.J. Ramanujam, A. Venkatachar, and S. Dutta. HiPC, page 132-139. IEEE Computer Society, (1998)DA-TC: a novel application execution model in multicluster systems.Z. Yun, Z. Lei, G. Allen, D. Katz, and J. Ramanujam. Cluster Computing, 17 (2): 371-387 (2014)Parallel tempering simulation of the three-dimensional Edwards-Anderson model with compact asynchronous multispin coding on GPU.Y. Fang, S. Feng, K. Tam, Z. Yun, J. Moreno, J. Ramanujam, and M. Jarrell. Comput. Phys. Commun., 185 (10): 2467-2478 (2014)

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GeauxDock: A novel approach for mixed-resolution ligand docking using a descriptor-based force field.

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copydeleteadd this publication to your clipboardcommunity posthistory of this postURLDOIBibTeXEndNoteAPAChicagoDIN 1505HarvardMSOffice XML GeauxDock: A novel approach for mixed-resolution ligand docking using a descriptor-based force field.

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GeauxDock: A novel approach for mixed-resolution ligand docking using a descriptor-based force field.