Zobrazeno 1 - 10
of 11
pro vyhledávání: '"Durumeric AEP"'
Autor:
Peng Y; NVIDIA Corporation, 2788 San Tomas Expressway, Santa Clara, California 95051, United States., Pak AJ; Department of Chemical and Biological Engineering, Colorado School of Mines, Golden, Colorado 80401, United States., Durumeric AEP; Department of Mathematics and Computer Science, Freie Universität Berlin, Berlin 14195, Germany., Sahrmann PG; Department of Chemistry, Chicago Center for Theoretical Chemistry, James Franck Institute, and Institute for Biophysical Dynamics, The University of Chicago, Chicago, Illinois 60637, United States., Mani S; Department of Chemistry, Chicago Center for Theoretical Chemistry, James Franck Institute, and Institute for Biophysical Dynamics, The University of Chicago, Chicago, Illinois 60637, United States., Jin J; Department of Chemistry, Chicago Center for Theoretical Chemistry, James Franck Institute, and Institute for Biophysical Dynamics, The University of Chicago, Chicago, Illinois 60637, United States., Loose TD; Department of Chemistry, Chicago Center for Theoretical Chemistry, James Franck Institute, and Institute for Biophysical Dynamics, The University of Chicago, Chicago, Illinois 60637, United States., Beiter J; Department of Chemistry, Chicago Center for Theoretical Chemistry, James Franck Institute, and Institute for Biophysical Dynamics, The University of Chicago, Chicago, Illinois 60637, United States., Voth GA; Department of Chemistry, Chicago Center for Theoretical Chemistry, James Franck Institute, and Institute for Biophysical Dynamics, The University of Chicago, Chicago, Illinois 60637, United States.
Publikováno v:
The journal of physical chemistry. B [J Phys Chem B] 2023 Oct 12; Vol. 127 (40), pp. 8537-8550. Date of Electronic Publication: 2023 Oct 04.
Autor:
Sahrmann PG; Department of Chemistry, Chicago Center for Theoretical Chemistry, James Franck Institute, and Institute for Biophysical Dynamics, The University of Chicago, Chicago, Illinois 60637, United States., Loose TD; Department of Chemistry, Chicago Center for Theoretical Chemistry, James Franck Institute, and Institute for Biophysical Dynamics, The University of Chicago, Chicago, Illinois 60637, United States., Durumeric AEP; Department of Chemistry, Chicago Center for Theoretical Chemistry, James Franck Institute, and Institute for Biophysical Dynamics, The University of Chicago, Chicago, Illinois 60637, United States., Voth GA; Department of Chemistry, Chicago Center for Theoretical Chemistry, James Franck Institute, and Institute for Biophysical Dynamics, The University of Chicago, Chicago, Illinois 60637, United States.
Publikováno v:
Journal of chemical theory and computation [J Chem Theory Comput] 2023 Jul 25; Vol. 19 (14), pp. 4402-4413. Date of Electronic Publication: 2023 Feb 20.
Autor:
Durumeric AEP; Department of Chemistry, Chicago Center for Theoretical Chemistry, James Franck Institute, and Institute for Biophysical Dynamics, The University of Chicago, 5735 S. Ellis Ave., Chicago, Illinois 60637, USA., Voth GA; Department of Chemistry, Chicago Center for Theoretical Chemistry, James Franck Institute, and Institute for Biophysical Dynamics, The University of Chicago, 5735 S. Ellis Ave., Chicago, Illinois 60637, USA.
Publikováno v:
The Journal of chemical physics [J Chem Phys] 2023 Jun 21; Vol. 158 (23).
Autor:
Krämer A; Department of Mathematics and Computer Science, Freie Universität Berlin, Arnimallee 12, 14195 Berlin, Germany., Durumeric AEP; Department of Mathematics and Computer Science, Freie Universität Berlin, Arnimallee 12, 14195 Berlin, Germany., Charron NE; Department of Physics and Astronomy, Rice University, Houston, Texas 77005, United States.; Center for Theoretical Biological Physics, Rice University, Houston, Texas 77251, United States.; Department of Physics, Freie Universität Berlin, Arnimallee 12, 14195 Berlin, Germany., Chen Y; Department of Mathematics and Computer Science, Freie Universität Berlin, Arnimallee 12, 14195 Berlin, Germany.; International Max Planck Research School for Biology and Computation (IMPRS-BAC), Max Planck Institute for Molecular Genetics, 14195 Berlin, Germany., Clementi C; Department of Physics and Astronomy, Rice University, Houston, Texas 77005, United States.; Center for Theoretical Biological Physics, Rice University, Houston, Texas 77251, United States.; Department of Physics, Freie Universität Berlin, Arnimallee 12, 14195 Berlin, Germany.; Department of Chemistry, Rice University, Houston, Texas 77005, United States., Noé F; Department of Mathematics and Computer Science, Freie Universität Berlin, Arnimallee 12, 14195 Berlin, Germany.; Department of Physics, Freie Universität Berlin, Arnimallee 12, 14195 Berlin, Germany.; Department of Chemistry, Rice University, Houston, Texas 77005, United States.; Microsoft Research AI4Science, Karl-Liebknecht Straße 32, 10178 Berlin, Germany.
Publikováno v:
The journal of physical chemistry letters [J Phys Chem Lett] 2023 May 04; Vol. 14 (17), pp. 3970-3979. Date of Electronic Publication: 2023 Apr 20.
Autor:
Durumeric AEP; Department of Mathematics and Computer Science, Freie Universität Berlin, Arnimallee 12, 14195, Berlin, Germany., Charron NE; Department of Physics and Astronomy, Rice University, 6100 Main Street, Houston, 77005, Texas, USA; Department of Physics, Freie Universität Berlin, Arnimallee 12, 14195, Berlin, Germany; Center for Theoretical Biological Physics, Rice University, 6100 Main Street, Houston, 77005, Texas, USA., Templeton C; Department of Physics, Freie Universität Berlin, Arnimallee 12, 14195, Berlin, Germany. Electronic address: https://twitter.com/pbrun03., Musil F; Department of Physics, Freie Universität Berlin, Arnimallee 12, 14195, Berlin, Germany. Electronic address: https://twitter.com/FelixMusil., Bonneau K; Department of Physics, Freie Universität Berlin, Arnimallee 12, 14195, Berlin, Germany., Pasos-Trejo AS; Department of Physics, Freie Universität Berlin, Arnimallee 12, 14195, Berlin, Germany. Electronic address: https://twitter.com/sayeg84., Chen Y; Department of Mathematics and Computer Science, Freie Universität Berlin, Arnimallee 12, 14195, Berlin, Germany. Electronic address: https://twitter.com/hello_yaoyi., Kelkar A; Department of Mathematics and Computer Science, Freie Universität Berlin, Arnimallee 12, 14195, Berlin, Germany., Noé F; Microsoft Research AI4Science, Karl-Liebknecht Str. 32, Berlin, 10178, Berlin, Germany; Department of Mathematics and Computer Science, Freie Universität Berlin, Arnimallee 12, 14195, Berlin, Germany; Department of Physics, Freie Universität Berlin, Arnimallee 12, 14195, Berlin, Germany; Department of Chemistry, Rice University, 6100 Main Street, Houston, 77005, Texas, USA. Electronic address: https://twitter.com/FrankNoeBerlin., Clementi C; Department of Physics, Freie Universität Berlin, Arnimallee 12, 14195, Berlin, Germany; Center for Theoretical Biological Physics, Rice University, 6100 Main Street, Houston, 77005, Texas, USA; Department of Chemistry, Rice University, 6100 Main Street, Houston, 77005, Texas, USA; Department of Physics and Astronomy, Rice University, 6100 Main Street, Houston, 77005, Texas, USA. Electronic address: c.clementi@fu-berlin.de.
Publikováno v:
Current opinion in structural biology [Curr Opin Struct Biol] 2023 Apr; Vol. 79, pp. 102533. Date of Electronic Publication: 2023 Jan 31.
Autor:
Jin J; Department of Chemistry, Chicago Center for Theoretical Chemistry, Institute for Biophysical Dynamics, and James Franck Institute, The University of Chicago, Chicago, Illinois 60637, United States., Pak AJ; Department of Chemistry, Chicago Center for Theoretical Chemistry, Institute for Biophysical Dynamics, and James Franck Institute, The University of Chicago, Chicago, Illinois 60637, United States., Durumeric AEP; Department of Chemistry, Chicago Center for Theoretical Chemistry, Institute for Biophysical Dynamics, and James Franck Institute, The University of Chicago, Chicago, Illinois 60637, United States., Loose TD; Department of Chemistry, Chicago Center for Theoretical Chemistry, Institute for Biophysical Dynamics, and James Franck Institute, The University of Chicago, Chicago, Illinois 60637, United States., Voth GA; Department of Chemistry, Chicago Center for Theoretical Chemistry, Institute for Biophysical Dynamics, and James Franck Institute, The University of Chicago, Chicago, Illinois 60637, United States.
Publikováno v:
Journal of chemical theory and computation [J Chem Theory Comput] 2022 Oct 11; Vol. 18 (10), pp. 5759-5791. Date of Electronic Publication: 2022 Sep 07.
Autor:
Aydin F; Quantum Simulation Group, Lawrence Livermore National Laboratory, Livermore, California 94550, USA., Durumeric AEP; Department of Mathematics and Computer Science, Freie Universität Berlin, Berlin, Germany., da Hora GCA; Department of Chemistry, University of Utah, Salt Lake City, Utah 84112-0850, USA., Nguyen JDM; Department of Chemistry, University of Utah, Salt Lake City, Utah 84112-0850, USA., Oh MI; Department of Chemistry, University of Utah, Salt Lake City, Utah 84112-0850, USA., Swanson JMJ; Department of Chemistry, University of Utah, Salt Lake City, Utah 84112-0850, USA.
Publikováno v:
The Journal of chemical physics [J Chem Phys] 2021 Jul 28; Vol. 155 (4), pp. 045101.
Autor:
Dannenhoffer-Lafage T; Department of Chemistry, James Franck Institute, and Institute for Biophysical Dynamics, University of Chicago, Chicago, Illinois 60637, USA., Wagner JW; Department of Chemistry, James Franck Institute, and Institute for Biophysical Dynamics, University of Chicago, Chicago, Illinois 60637, USA., Durumeric AEP; Department of Chemistry, James Franck Institute, and Institute for Biophysical Dynamics, University of Chicago, Chicago, Illinois 60637, USA., Voth GA; Department of Chemistry, James Franck Institute, and Institute for Biophysical Dynamics, University of Chicago, Chicago, Illinois 60637, USA.
Publikováno v:
The Journal of chemical physics [J Chem Phys] 2019 Oct 07; Vol. 151 (13), pp. 134115.
Autor:
Durumeric AEP; Department of Chemistry, James Franck Institute, Institute for Biophysical Dynamics, and Computation Institute, The University of Chicago, Chicago, Illinois 60637, USA., Voth GA; Department of Chemistry, James Franck Institute, Institute for Biophysical Dynamics, and Computation Institute, The University of Chicago, Chicago, Illinois 60637, USA.
Publikováno v:
The Journal of chemical physics [J Chem Phys] 2019 Sep 28; Vol. 151 (12), pp. 124110.
Autor:
Katkar HH; Department of Chemistry, Institute for Biophysical Dynamics and James Frank Institute, University of Chicago, Chicago, Illinois., Davtyan A; Department of Chemistry, Institute for Biophysical Dynamics and James Frank Institute, University of Chicago, Chicago, Illinois., Durumeric AEP; Department of Chemistry, Institute for Biophysical Dynamics and James Frank Institute, University of Chicago, Chicago, Illinois., Hocky GM; Department of Chemistry, Institute for Biophysical Dynamics and James Frank Institute, University of Chicago, Chicago, Illinois., Schramm AC; Department of Molecular Biophysics and Biochemistry, Yale University, New Haven, Connecticut., De La Cruz EM; Department of Molecular Biophysics and Biochemistry, Yale University, New Haven, Connecticut., Voth GA; Department of Chemistry, Institute for Biophysical Dynamics and James Frank Institute, University of Chicago, Chicago, Illinois. Electronic address: gavoth@uchicago.edu.
Publikováno v:
Biophysical journal [Biophys J] 2018 Oct 16; Vol. 115 (8), pp. 1589-1602. Date of Electronic Publication: 2018 Sep 01.