Prioritizing Virtual Screening with Interpretable Interaction Fingerprints

Related articles

1. MFPLI: A Computational Framework for Assessing Biological Authenticity of Protein-Ligand Interactions Using Molecular Fingerprints and Structural Features

   This article has 8 authors:

   1. Hao Zhang
   2. Jiqing Zheng
   3. Haoxiang Li
   4. Shizhang Wan
   5. Guiyu Guan
   6. Bin Li
   7. Lei Liu
   8. Wei He

2. Leveraging Large Language Models for Literature-Driven Prioritization of Protein Binding Pockets

   This article has 11 authors:

   1. Roman Stratiichuk
   2. Mykola Melnychenko
   3. Ihor Koleiev
   4. Taras Voitsitskyi
   5. Vladyslav Husak
   6. Nazar Shevchuk
   7. Zakhar Osrovsky
   8. Volodymyr Bdzhola
   9. Semen Yesylevskyy
   10. Serhii Starosyla
   11. Alan Nafiiev

3. Accelerating ligand discovery by combining Bayesian optimization with MMGBSA-based binding affinity calculations

   This article has 6 authors:

   1. Lucas Andersen
   2. Max Rausch-Dupont
   3. Alejandro Martínez León
   4. Andrea Volkamer
   5. Jochen S. Hub
   6. Dietrich Klakow