A Review on Parallel Virtual Screening Softwares for High-Performance Computers

• Main Authors: Natarajan Arul Murugan (Author), Artur Podobas (Author), Davide Gadioli (Author), Emanuele Vitali (Author), Gianluca Palermo (Author), Stefano Markidis (Author)
• Format: Book
• Published: MDPI AG, 2022-01-01T00:00:00Z.
• Subjects: article
• Online Access: Connect to this object online.

Drug discovery is the most expensive, time-demanding, and challenging project in biopharmaceutical companies which aims at the identification and optimization of lead compounds from large-sized chemical libraries. The lead compounds should have high-affinity binding and specificity for a target asso...