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Matthew Harger

Showing results (1-10 of 8) with videos related to

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Results in Chemistry|April 19, 2021
Virial Based Berendsen Barostat on GPUs using AMOEBA in Tinker-OpenMMMatthew Harger, Pengyu Ren
Journal of Chemical Theory and Computation|December 29, 2016
Polarizable Multipole-Based Force Field for Aromatic Molecules and NucleobasesChangsheng Zhang, David Bell, Matthew Harger, et al.
Journal of Computational Chemistry|June 11, 2017
Tinker-OpenMM: Absolute and relative alchemical free energies using AMOEBA on GPUsMatthew Harger, Daniel Li, Zhi Wang, et al.
Journal of Molecular Modeling|May 10, 2019
Computational insights into the binding of IN17 inhibitors to MELKMatthew Harger, Ju-Hyeon Lee, Brandon Walker, et al.
Journal of Chemical Information and Modeling|February 13, 2023
Computational Investigation of a Series of Small Molecules as Potential Compounds for Lysyl Hydroxylase-2 (LH2) InhibitionYazdan Maghsoud, Erik Antonio Vázquez-Montelongo, Xudong Yang, et al.
Chemical Science|May 8, 2018
Tinker-HP: a massively parallel molecular dynamics package for multiscale simulations of large complex systems with advanced point dipole polarizable force fieldsLouis Lagardère, Luc-Henri Jolly, Filippo Lipparini, et al.
ACS Synthetic Biology|May 10, 2013
Expanding the product profile of a microbial alkane biosynthetic pathwayMatthew Harger, Lei Zheng, Austin Moon, et al.
Nature Communications|November 21, 2019
Modulating multi-functional ERK complexes by covalent targeting of a recruitment site in vivoTamer S Kaoud, William H Johnson, Nancy D Ebelt, et al.
Pageof 1

Showing results (1-10 of 8) with videos related to

Sort By:
Pageof 1
Results in Chemistry|April 19, 2021
Virial Based Berendsen Barostat on GPUs using AMOEBA in Tinker-OpenMMMatthew Harger, Pengyu Ren
Journal of Chemical Theory and Computation|December 29, 2016
Polarizable Multipole-Based Force Field for Aromatic Molecules and NucleobasesChangsheng Zhang, David Bell, Matthew Harger, et al.
Journal of Computational Chemistry|June 11, 2017
Tinker-OpenMM: Absolute and relative alchemical free energies using AMOEBA on GPUsMatthew Harger, Daniel Li, Zhi Wang, et al.
Journal of Molecular Modeling|May 10, 2019
Computational insights into the binding of IN17 inhibitors to MELKMatthew Harger, Ju-Hyeon Lee, Brandon Walker, et al.
Journal of Chemical Information and Modeling|February 13, 2023
Computational Investigation of a Series of Small Molecules as Potential Compounds for Lysyl Hydroxylase-2 (LH2) InhibitionYazdan Maghsoud, Erik Antonio Vázquez-Montelongo, Xudong Yang, et al.
Chemical Science|May 8, 2018
Tinker-HP: a massively parallel molecular dynamics package for multiscale simulations of large complex systems with advanced point dipole polarizable force fieldsLouis Lagardère, Luc-Henri Jolly, Filippo Lipparini, et al.
ACS Synthetic Biology|May 10, 2013
Expanding the product profile of a microbial alkane biosynthetic pathwayMatthew Harger, Lei Zheng, Austin Moon, et al.
Nature Communications|November 21, 2019
Modulating multi-functional ERK complexes by covalent targeting of a recruitment site in vivoTamer S Kaoud, William H Johnson, Nancy D Ebelt, et al.
Pageof 1