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Results in Chemistry
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April 19, 2021
Virial Based Berendsen Barostat on GPUs using AMOEBA in Tinker-OpenMM
Matthew Harger, Pengyu Ren
Journal of Chemical Theory and Computation
|
December 29, 2016
Polarizable Multipole-Based Force Field for Aromatic Molecules and Nucleobases
Changsheng 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 GPUs
Matthew Harger, Daniel Li, Zhi Wang, et al.
Journal of Molecular Modeling
|
May 10, 2019
Computational insights into the binding of IN17 inhibitors to MELK
Matthew 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) Inhibition
Yazdan 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 fields
Louis Lagardère, Luc-Henri Jolly, Filippo Lipparini, et al.
ACS Synthetic Biology
|
May 10, 2013
Expanding the product profile of a microbial alkane biosynthetic pathway
Matthew 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 vivo
Tamer S Kaoud, William H Johnson, Nancy D Ebelt, et al.
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Search research articles
Search
Showing results (1-10 of 8) with videos related to
Sort By:
Page
of 1
Results in Chemistry
|
April 19, 2021
Virial Based Berendsen Barostat on GPUs using AMOEBA in Tinker-OpenMM
Matthew Harger, Pengyu Ren
Journal of Chemical Theory and Computation
|
December 29, 2016
Polarizable Multipole-Based Force Field for Aromatic Molecules and Nucleobases
Changsheng 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 GPUs
Matthew Harger, Daniel Li, Zhi Wang, et al.
Journal of Molecular Modeling
|
May 10, 2019
Computational insights into the binding of IN17 inhibitors to MELK
Matthew 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) Inhibition
Yazdan 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 fields
Louis Lagardère, Luc-Henri Jolly, Filippo Lipparini, et al.
ACS Synthetic Biology
|
May 10, 2013
Expanding the product profile of a microbial alkane biosynthetic pathway
Matthew 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 vivo
Tamer S Kaoud, William H Johnson, Nancy D Ebelt, et al.
Page
of 1