Pocket2Drug: An Encoder-Decoder Deep Neural Network for the Target-Based Drug Design

• المؤلفون الرئيسيون: Wentao Shi (مؤلف), Manali Singha (مؤلف), Gopal Srivastava (مؤلف), Limeng Pu (مؤلف), J. Ramanujam (مؤلف), Michal Brylinski (مؤلف)
• التنسيق: كتاب
• منشور في: Frontiers Media S.A., 2022-03-01T00:00:00Z.
• الموضوعات: article
• الوصول للمادة أونلاين: Connect to this object online.

Computational modeling is an essential component of modern drug discovery. One of its most important applications is to select promising drug candidates for pharmacologically relevant target proteins. Because of continuing advances in structural biology, putative binding sites for small organic mole...