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Similarities between principal components of protein dynamics and random diffusion

. Phys. Rev. E, 62 (6): 8438--8448 (December 2000)
DOI: 10.1103/PhysRevE.62.8438

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GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation, , , and . Journal of Chemical Theory and Computation, 4 (3): 435-447 (2008)LINCS: A linear constraint solver for molecular simulations., , , and . J. Comput. Chem., 18 (12): 1463-1472 (1997)Poster: 3D tixels: a highly efficient algorithm for gpu/cpu-acceleration of molecular dynamics on heterogeneous parallel architectures., , and . SC Companion, page 71-72. ACM, (2011)Convergence of sampling in protein simulations. Phys. Rev. E, 65 (3): 031910 (March 2002)GROMACS 3.0: a package for molecular simulation and trajectory analysis, , and . J. Mol. Model., (2001)Tackling Exascale Software Challenges in Molecular Dynamics Simulations with GROMACS., , , , and . CoRR, (2015)P-LINCS: A Parallel Linear Constraint Solver for Molecular Simulation. Journal of Chemical Theory and Computation, 4 (1): 116-122 (2008)Copernicus: a new paradigm for parallel adaptive molecular dynamics., , , , , , , , , and . SC, page 60:1-60:10. ACM, (2011)Scaling of the GROMACS 4.6 molecular dynamics code on SuperMUC., , , and . PARCO, volume 25 of Advances in Parallel Computing, page 722-727. IOS Press, (2013)GROMACS: GROningen MAchine for Chemical Simulations -- User Manual, Version 3.1, , , , , , , , , and 1 other author(s). Nij\-enborgh 4, 9747 AG Groningen, The Netherlands, (2001)