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Polarizable molecular dynamics in a polarizable continuum solvent

F. Lipparini, L. Lagardère, C. Raynaud, B. Stamm, E. Cancès, B. Mennucci, M. Schnieders, P. Ren, Y. Maday, and J. Piquemal. Journal of Chemical Theory and Computation, 11 (2): 623-634 (2015)

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To differ between persons with the same name, the academic degree and the title of an important publication will be displayed. You can also use the button next to the name to display some publications already assigned to the person.

Weibo Ren University of Stuttgart

Anja Rentz University of Stuttgart

Dr. -Ing. Jörg Renner University of Stuttgart

Sylvia Rendsburg University of Stuttgart

Ulrich Rentschler University of Stuttgart

Other publications of authors with the same name

Virtual Reality Training with Passive Haptic Feedback for CryoEM Sample Preparation.J. Dong, J. Zhang, X. Ma, P. Ren, Z. Qian, and Y. Chen. VR, page 892-893. IEEE, (2019)Scalable evaluation of polarization energy and associated forces in polarizable molecular dynamics: I. Toward massively parallel direct space computationsF. Lipparini, L. Lagardère, B. Stamm, E. Cancès, M. Schnieders, P. Ren, Y. Maday, and J. Piquemal. Journal of Chemical Theory and Computation, 10 (4): 1638-1651 (2014)Scalable Evaluation of Polarization Energy and Associated Forces in Polarizable Molecular Dynamics: II. Toward Massively Parallel Computations Using Smooth Particle Mesh EwaldL. Lagardère, F. Lipparini, E. Polack, B. Stamm, E. Cancès, M. Schnieders, P. Ren, Y. Maday, and J. Piquemal. Journal of Chemical Theory and Computation, 11 (6): 2589-2599 (2015)Calculating protein-ligand binding affinities with MMPBSA: Method and error analysis.C. Wang, P. Nguyen, K. Pham, D. Huynh, T. Le, H. Wang, P. Ren, and R. Luo. Journal of Computational Chemistry, 37 (27): 2436-2446 (2016)Polarizable molecular dynamics in a polarizable continuum solventF. Lipparini, L. Lagardère, C. Raynaud, B. Stamm, E. Cancès, B. Mennucci, M. Schnieders, P. Ren, Y. Maday, and J. Piquemal. Journal of Chemical Theory and Computation, 11 (2): 623-634 (2015)Estimating and modeling charge transfer from the SAPT induction energy.S. Deng, Q. Wang, and P. Ren. Journal of Computational Chemistry, 38 (26): 2222-2231 (2017)Truncated Conjugate Gradient: An Optimal Strategy for the Analytical Evaluation of the Many-Body Polarization Energy and Forces in Molecular SimulationsF. Aviat, A. Levitt, B. Stamm, Y. Maday, P. Ren, J. Ponder, L. Lagardere, and J. Piquemal. Journal of Chemical Theory and Computation, 13 (1): 180-190 (2017)Tinker-HP: a massively parallel molecular dynamics package for multiscale simulations of large complex systems with advanced point dipole polarizable force fieldsL. Lagardère, L. Jolly, F. Lipparini, F. Aviat, B. Stamm, Z. Jing, M. Harger, H. Torabifard, G. Cisneros, M. Schnieders and 5 other author(s). Chemical Science, (2018)Identification and Validation of Novel PERK Inhibitors.Q. Wang, J. Park, A. Devkota, E. Cho, K. Dalby, and P. Ren. Journal of Chemical Information and Modeling, 54 (5): 1467-1475 (2014)Tinker-OpenMM: Absolute and relative alchemical free energies using AMOEBA on GPUs.M. Harger, D. Li, Z. Wang, K. Dalby, L. Lagardère, J. Piquemal, J. Ponder, and P. Ren. Journal of Computational Chemistry, 38 (23): 2047-2055 (2017)

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Disambiguation of "Ren, Pengyu"

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Polarizable molecular dynamics in a polarizable continuum solvent

Please choose a person to relate this publication to

Weibo Ren University of Stuttgart

Anja Rentz University of Stuttgart

Dr. -Ing. Jörg Renner University of Stuttgart

Sylvia Rendsburg University of Stuttgart

Ulrich Rentschler University of Stuttgart

Other publications of authors with the same name

Disambiguation

PUMA

Disambiguation of "Ren, Pengyu"

copydeleteadd this publication to your clipboardcommunity posthistory of this postURLDOIBibTeXEndNoteAPAChicagoDIN 1505HarvardMSOffice XML Polarizable molecular dynamics in a polarizable continuum solvent

Please choose a person to relate this publication to

Weibo Ren University of Stuttgart

Anja Rentz University of Stuttgart

Dr. -Ing. Jörg Renner University of Stuttgart

Sylvia Rendsburg University of Stuttgart

Ulrich Rentschler University of Stuttgart

Other publications of authors with the same name

Disambiguation

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history of this post
URL
DOI
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Polarizable molecular dynamics in a polarizable continuum solvent