.png){kind=icon}
Return
Structure-based virtual screening: an overview
.png){kind=icon}
PRE
AI
DOI：10.1016/S1359-6446(02)02483-2.png)
.png){kind=icon}
.png){kind=icon}
Share.png){kind=icon}
Save
Abstract
En 中文
Enormous advances in genomics have resulted in a large increase in the number of potential therapeutic targets that are available for investigation. This growth in potential targets has increased the demand for reliable target validation, as well as technologies that can identify rapidly several quality lead candidates. Virtual screening, and in particular receptor-based virtual screening, has emerged as a reliable, inexpensive method for identifying leads. Although still an evolving method, advances in computational techniques have enabled virtual screening to have a positive impact on the discovery process. Here, the current strengths and weaknesses of the technology are discussed, and emphasis is placed on aspects of the work-flow of a virtual screening campaign, from preparation through to post-screening analysis.
Keywords:
PROTEIN-LIGAND INTERACTIONS
EMPIRICAL SCORING FUNCTION
FREE-ENERGY CALCULATIONS
MOLECULAR DOCKING
DRUG DISCOVERY
CHEMICAL DATABASES
GENETIC ALGORITHM
FLEXIBLE DOCKING
RATIONAL DESIGN
BINDING-SITES
Journal
IF:
7.5
Papers:
6.5K
Citations:
2.3W
Organization
No organization information available
Cited Papers
ShareSave
ShareSaveHSFL: Efficient and Privacy-Preserving Offloading for Split and Federated Learning in IoT Services
PREAI
ShareSaveShareSaveShareSaveBarriers to and facilitators of child influenza vaccine – Perspectives from parents, teens, marketing and healthcare professionals.png)
Vaccine
VaccineIF0
PREAI
ShareSaveShareSave
View more