Leonardo Solis-Vasquez

Accelerating A <scp>uto</scp> D <scp>ock</scp> 4 with GPUs and Gradient-Based Local Search

Diogo Santos‐Martins, Leonardo Solis-Vasquez, Andreas F. Tillack et al. · Journal of Chemical Theory and Computation · 2021 · 351 citations · Full text

Automatic classification of pediatric pneumonia based on lung ultrasound pattern recognition

Malena Correa, Mirko Zimic, Franklin Barrientos et al. · PLoS ONE · 2018 · 96 citations · Full text

Engineering, Neural Network, Diagnosis +19

Comparison of affinity ranking using AutoDock-GPU and MM-GBSA scores for BACE-1 inhibitors in the D3R Grand Challenge 4

Léa El Khoury, Diogo Santos‐Martins, Sukanya Sasmal et al. · Journal of Computer-Aided Molecular Design · 2019 · 74 citations · Full text

Molecular Docking, Drug Target, Medicine +9

GPU-Accelerated Drug Discovery with Docking on the Summit Supercomputer

Scott LeGrand, Aaron Scheinberg, Andreas F. Tillack et al. · 2020 · 51 citations · Full text

Engineering, Hit Identification, Molecular Biology +17

Benchmarking the performance of irregular computations in AutoDock-GPU molecular docking

Leonardo Solis-Vasquez, Andreas F. Tillack, Diogo Santos‐Martins et al. · Parallel Computing · 2021 · 38 citations · Full text

Molecular Docking, Gpu Architecture, Engineering +13