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Journal of Chemical Theory and Computation
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July 17, 2020
Improved Alchemical Free Energy Calculations with Optimized Smoothstep Softcore Potentials
Tai-Sung Lee, Zhixiong Lin, Bryce K Allen, et al.
Journal of Chemical Theory and Computation
|
July 2, 2013
A variational linear-scaling framework to build practical, efficient next-generation orbital-based quantum force fields
Timothy J Giese, Haoyuan Chen, Thakshila Dissanayake, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
July 24, 2013
Experimental and computational analysis of the transition state for ribonuclease A-catalyzed RNA 2'-O-transphosphorylation
Hong Gu, Shuming Zhang, Kin-Yiu Wong, et al.
Journal of Chemical Information and Modeling
|
September 16, 2020
Alchemical Binding Free Energy Calculations in AMBER20: Advances and Best Practices for Drug Discovery
Tai-Sung Lee, Bryce K Allen, Timothy J Giese, et al.
The Journal of Chemical Physics
|
August 6, 2020
Scalable molecular dynamics on CPU and GPU architectures with NAMD
James C Phillips, David J Hardy, Julio D C Maia, et al.
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of 3
Search research articles
Search
Showing results (21-30 of 25) with videos related to
Sort By:
Page
of 3
You have reached the last page of results.
This site can display upto 25 results.
Journal of Chemical Theory and Computation
|
July 17, 2020
Improved Alchemical Free Energy Calculations with Optimized Smoothstep Softcore Potentials
Tai-Sung Lee, Zhixiong Lin, Bryce K Allen, et al.
Journal of Chemical Theory and Computation
|
July 2, 2013
A variational linear-scaling framework to build practical, efficient next-generation orbital-based quantum force fields
Timothy J Giese, Haoyuan Chen, Thakshila Dissanayake, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
July 24, 2013
Experimental and computational analysis of the transition state for ribonuclease A-catalyzed RNA 2'-O-transphosphorylation
Hong Gu, Shuming Zhang, Kin-Yiu Wong, et al.
Journal of Chemical Information and Modeling
|
September 16, 2020
Alchemical Binding Free Energy Calculations in AMBER20: Advances and Best Practices for Drug Discovery
Tai-Sung Lee, Bryce K Allen, Timothy J Giese, et al.
The Journal of Chemical Physics
|
August 6, 2020
Scalable molecular dynamics on CPU and GPU architectures with NAMD
James C Phillips, David J Hardy, Julio D C Maia, et al.
Page
of 3