The pmemd.cuda GPU Implementation
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Full article: Solvated and generalised Born calculations differences using GPU CUDA and multi-CPU simulations of an antifreeze protein with AMBER
Toward Fast and Accurate Binding Affinity Prediction with pmemdGTI: An Efficient Implementation of GPU-Accelerated Thermodynamic Integration.
TI Calculation with DDBoost
The pmemd.cuda GPU Implementation
GPU-Accelerated Implementation of Continuous Constant pH Molecular Dynamics in Amber: pKa Predictions with Single-pH Simulations
Using Accelerated Molecular Dynamics (aMD) to enhance sampling
The pmemd.cuda GPU Implementation
Toward Fast and Accurate Binding Affinity Prediction with pmemdGTI: An Efficient Implementation of GPU-Accelerated Thermodynamic Integration
Toward Fast and Accurate Binding Affinity Prediction with pmemdGTI: An Efficient Implementation of GPU-Accelerated Thermodynamic Integration.
Biomolecules, Free Full-Text
Toward Fast and Accurate Binding Affinity Prediction with pmemdGTI: An Efficient Implementation of GPU-Accelerated Thermodynamic Integration.
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