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20192024
most citedCoupling enhanced sampling of the apo-receptor with template-based ligand conformers selection: Performance in pose prediction in the D3R-GC4

15 citations · 26 across the 5 of their papers we have counts for

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cs.CE2020

Deep-learning enhancement of large scale numerical simulations

Caspar van Leeuwen, Damian Podareanu, Valeriu Codreanu +11

Traditional simulations on High-Performance Computing (HPC) systems typically involve modeling very large domains and/or very complex equations. HPC systems allow running large mod…