Enabling performance portability on the LiGen drug discovery pipeline

Article Properties
Journal Categories
Science
Mathematics
Instruments and machines
Electronic computers
Computer science
Science
Mathematics
Instruments and machines
Electronic computers
Computer science
Computer software
Technology
Electrical engineering
Electronics
Nuclear engineering
Electronics
Computer engineering
Computer hardware
Refrences
Title Journal Journal Categories Citations Publication Date
EXSCALATE: An extreme-scale virtual screening platform for drug discovery targeting polypharmacology to fight SARS-CoV-2 2023
Repurposing the estrogen receptor modulator raloxifene to treat SARS-CoV-2 infection

Cell Death & Differentiation
  • Science: Biology (General)
  • Science: Biology (General): Cytology
  • Science: Biology (General): Cytology
  • Science: Biology (General): Genetics
26 2022
Accelerating AutoDock Vina with GPUs

Molecules
  • Science: Chemistry: Organic chemistry
  • Science: Biology (General)
  • Science: Chemistry: General. Including alchemy
  • Science: Chemistry
30 2022
A Review on Parallel Virtual Screening Softwares for High-Performance Computers

Pharmaceuticals
  • Medicine: Pharmacy and materia medica
  • Medicine: Therapeutics. Pharmacology
  • Medicine: Therapeutics. Pharmacology
  • Medicine: Public aspects of medicine: Toxicology. Poisons
21 2022
GPU-Accelerated Flexible Molecular Docking The Journal of Physical Chemistry B
  • Science: Chemistry: Physical and theoretical chemistry
  • Science: Chemistry: Physical and theoretical chemistry
  • Science: Chemistry
12 2021