A Review on Parallel Virtual Screening Softwares for High Performance Computers

30 November 2021

Papers citing "A Review on Parallel Virtual Screening Softwares for High Performance Computers"

4 / 4 papers shown

Title
Efficient Parameter Tuning for a Structure-Based Virtual Screening HPC Application Bruno Guindani Davide Gadioli Roberto Rocco Danilo Ardagna G. Palermo 21 0 0 18 Oct 2024
Tunable and Portable Extreme-Scale Drug Discovery Platform at Exascale: the LIGATE Approach G. Palermo Gianmarco Accordi Davide Gadioli Emanuele Vitali Cristina Silvano ... Eric Lindahl D. Gregori Emanuele Sana Silvano Coletti P. Gschwandtner ELM 21 5 0 19 Apr 2023
GPU-optimized Approaches to Molecular Docking-based Virtual Screening in Drug Discovery: A Comparative Analysis Emanuele Vitali F. Ficarelli M. Bisson Davide Gadioli M. Fatica A. Beccari G. Palermo 14 14 0 12 Sep 2022
Accelerating high-throughput virtual screening through molecular pool-based active learning David E. Graff E. Shakhnovich Connor W. Coley 76 142 0 13 Dec 2020