Automated collective variable discovery for MFSD2A transporter from molecular dynamics simulations

Related articles

1. Transferable Collective Variable to accelerate Protein-Ligand (Un)Binding Transitions via Explainable Machine Learning and Intriguing Role of Ligand Solvation

   This article has 2 authors:

   1. Saikat Dhibar
   2. Biman Jana

2. pHaseMD4AI: Phase-Space Dynamics Dataset with Chemical and pH Perturbations for Physically and Kinetically Consistent Biomolecular AI

   This article has 10 authors:

   1. Tiefeng Song
   2. Yixin Guo
   3. Jiahao He
   4. Zheyi Liu
   5. Minying Low
   6. Keying Wang
   7. Yutao Zhang
   8. Zedong Li
   9. Yandong Huang
   10. Yong Wang

3. Deep-learning predictions of biomolecular structures : persistent limitations and new horizons extended by explicit ion addition

   This article has 17 authors:

   1. Jules Marien
   2. Sujith Sritharan
   3. Beatrice Caviglia
   4. Raphaelle Versini
   5. Lucas Auclair
   6. Pierre Barraud
   7. Carine Tisné
   8. Alaa Reguei
   9. Samuel Murail
   10. Fabrice Leclerc
   11. Elise Duboué Dijon
   12. JianJun Tao
   13. Nathalie Basdevant
   14. Marc Baaden
   15. Chantal Prévost
   16. Sophie Sacquin-Mora
   17. Antoine Taly