The pmemd.cuda GPU Implementation

Toward Fast and Accurate Binding Affinity Prediction with pmemdGTI: An Efficient Implementation of GPU-Accelerated Thermodynamic Integration.

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

Amber Hardware & Software Configurations

The pmemd.cuda GPU Implementation

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

AMBER14 & GPUs

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

The pmemd.cuda GPU Implementation

The pmemd.cuda GPU Implementation

Toward Fast and Accurate Binding Affinity Prediction with pmemdGTI: An Efficient Implementation of GPU-Accelerated Thermodynamic Integration.

Biomolecules, Free Full-Text

Running AMBER on a GPU Cluster - Microway