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Journal of Chemical Information and Modeling|August 18, 2020
Boosting Free-Energy Perturbation Calculations with GPU-Accelerated NAMDHaochuan Chen, Julio D C Maia, Brian K Radak, et al.
Nature Methods|March 27, 2018
NAMD goes quantum: an integrative suite for hybrid simulationsMarcelo C R Melo, Rafael C Bernardi, Till Rudack, et al.
The Journal of Chemical Physics|August 6, 2020
Scalable molecular dynamics on CPU and GPU architectures with NAMDJames C Phillips, David J Hardy, Julio D C Maia, et al.
Biorxiv : the Preprint Server for Biology|November 25, 2020
AI-Driven Multiscale Simulations Illuminate Mechanisms of SARS-CoV-2 Spike DynamicsLorenzo Casalino, Abigail Dommer, Zied Gaieb, et al.
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