The pmemd.cuda GPU Implementation

Automated docking refinement and virtual compound screening with absolute binding free energy calculations

Fast and flexible gpu accelerated binding free energy calculations within the amber molecular dynamics package - Mermelstein - 2018 - Journal of Computational Chemistry - Wiley Online Library

PDF) Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 2. Explicit Solvent Particle Mesh Ewald

GPU-Accelerated Molecular Dynamics and Free Energy Methods in Amber18: Performance Enhancements and New Features

GPU-Accelerated All-atom Particle-Mesh Ewald Continuous Constant pH Molecular Dynamics in Amber

Fast Implementation of the Nudged Elastic Band Method in AMBER

Nvidia Cuda Apps Jun27 11

GUI for setup and control of Amber18/20 molecular dynamics simulations

AMBER14 & GPUs

Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 1. Generalized Born

GPU-Accelerated Implementation of Continuous Constant pH Molecular Dynamics in Amber: pKa Predictions with Single-pH Simulations

GPU-Accelerated All-Atom Particle-Mesh Ewald Continuous Constant pH Molecular Dynamics in Amber

The pmemd.cuda GPU Implementation

AMBER14 & GPUs