Tinker-HP : Accelerating Molecular Dynamics Simulations of Large Complex Systems with Advanced Point Dipole Polarizable Force Fields using GPUs and Multi-GPUs systems

Lignende værker

• Tinker-HP: Accelerating Molecular Dynamics Simulations of Large Complex Systems with Advanced Point Dipole Polarizable Force Fields Using GPUs and Multi-GPU Systems
  af: Adjoua, Olivier, et al.
  Udgivet: (2021)
• Tinker-HP: a massively parallel molecular dynamics package for multiscale simulations of large complex systems with advanced point dipole polarizable force fields
  af: Lagardère, Louis, et al.
  Udgivet: (2017)
• Tinker-OpenMM : Absolute and Relative Alchemical Free Energies using AMOEBA on GPUs
  af: Harger, Matthew, et al.
  Udgivet: (2017)
• Atomistic Polarizable Embeddings: Energy, Dynamics, Spectroscopy, and Reactivity
  af: Loco, Daniele, et al.
  Udgivet: (2021)
• High-resolution mining of the SARS-CoV-2 main protease conformational space: supercomputer-driven unsupervised adaptive sampling
  af: Jaffrelot Inizan, Théo, et al.
  Udgivet: (2021)