Estimation of Drug-Target Residence Times by τ-Random Acceleration Molecular Dynamics Simulations

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SEEK ID: https://publications.h-its.org/publications/382

SEEK ID: https://publications.h-its.org/publications/382

DOI: 10.1021/acs.jctc.8b00230

Research Groups: Molecular and Cellular Modeling

Publication type: Journal

Journal: Journal of Chemical Theory and Computation

Citation: J. Chem. Theory Comput. 14(7):3859-3869

Date Published: 24th May 2018

Registered Mode: imported from a bibtex file

Authors: Daria B. Kokh, Marta Amaral, Joerg Bomke, Ulrich Grädler, Djordje Musil, Hans-Peter Buchstaller, Matthias K. Dreyer, Matthias Frech, Maryse Lowinski, Francois Vallee, Marc Bianciotto, Alexey Rak, Rebecca C. Wade

Citation
Kokh, D. B., Amaral, M., Bomke, J., Grädler, U., Musil, D., Buchstaller, H.-P., Dreyer, M. K., Frech, M., Lowinski, M., Vallee, F., Bianciotto, M., Rak, A., & Wade, R. C. (2018). Estimation of Drug-Target Residence Times by τ-Random Acceleration Molecular Dynamics Simulations. In Journal of Chemical Theory and Computation (Vol. 14, Issue 7, pp. 3859–3869). American Chemical Society (ACS). https://doi.org/10.1021/acs.jctc.8b00230
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Created: 7th Sep 2019 at 12:16

Last updated: 5th Mar 2024 at 21:23

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