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Journal of Chemical Theory and Computation
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October 28, 2021
BLaDE: A Basic Lambda Dynamics Engine for GPU-Accelerated Molecular Dynamics Free Energy Calculations
Ryan L Hayes, Joshua Buckner, Charles L Brooks
Bioinformatics (Oxford, England)
|
October 24, 2009
The gputools package enables GPU computing in R
Joshua Buckner, Justin Wilson, Mark Seligman, et al.
Journal of Chemical Theory and Computation
|
June 2, 2023
pyCHARMM: Embedding CHARMM Functionality in a Python Framework
Joshua Buckner, Xiaorong Liu, Arghya Chakravorty, et al.
Journal of Chemical Theory and Computation
|
December 4, 2015
CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field
Jumin Lee, Xi Cheng, Jason M Swails, et al.
The Journal of Physical Chemistry. B
|
September 20, 2024
CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed
Wonmuk Hwang, Steven L Austin, Arnaud Blondel, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 5) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
October 28, 2021
BLaDE: A Basic Lambda Dynamics Engine for GPU-Accelerated Molecular Dynamics Free Energy Calculations
Ryan L Hayes, Joshua Buckner, Charles L Brooks
Bioinformatics (Oxford, England)
|
October 24, 2009
The gputools package enables GPU computing in R
Joshua Buckner, Justin Wilson, Mark Seligman, et al.
Journal of Chemical Theory and Computation
|
June 2, 2023
pyCHARMM: Embedding CHARMM Functionality in a Python Framework
Joshua Buckner, Xiaorong Liu, Arghya Chakravorty, et al.
Journal of Chemical Theory and Computation
|
December 4, 2015
CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field
Jumin Lee, Xi Cheng, Jason M Swails, et al.
The Journal of Physical Chemistry. B
|
September 20, 2024
CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed
Wonmuk Hwang, Steven L Austin, Arnaud Blondel, et al.
Page
of 1