#docking — top 20, last 14d
| 5 | ℹ |
AutoHMD: Scalable and Accurate Validation of Antibody-Antigen Complexes by Heated Molecular Dynamics.
(academic.oup.com)
|
Bioinformatics 2026-10-09 | #simulation #docking #immunology #protein structure #validation | |
| 2 | ℹ |
Pocket Contrastive Learning and Conformation Fusion for Robust Structure-Conditioned 3D Molecular Generation under Receptor Conformational Variation.
(academic.oup.com)
|
Bioinformatics 2026-10-05 | #molecular_generation #protein structure #docking #deep learning #drug design |