Empirical Scoring Functions for Structure-Based Virtual Screening: Applications, Critical Aspects, and Challenges

• المؤلفون الرئيسيون: Isabella A. Guedes (مؤلف), Felipe S. S. Pereira (مؤلف), Laurent E. Dardenne (مؤلف)
• التنسيق: كتاب
• منشور في: Frontiers Media S.A., 2018-09-01T00:00:00Z.
• الموضوعات: article
• الوصول للمادة أونلاين: Connect to this object online.

Structure-based virtual screening (VS) is a widely used approach that employs the knowledge of the three-dimensional structure of the target of interest in the design of new lead compounds from large-scale molecular docking experiments. Through the prediction of the binding mode and affinity of a sm...