Combined physics-and machine-learning-based method to identify druggable binding sites using SILCS-Hotspots

EB Nordquist, M Zhao, A Kumar… - Journal of Chemical …, 2024 - ACS Publications
Identifying druggable binding sites on proteins is an important and challenging problem,
particularly for cryptic, allosteric binding sites that may not be obvious from X-ray, cryo-EM …

[HTML][HTML] Exploring the Potential of Biomimetic Peptides in Targeting Fibrillar and Filamentous Alpha-Synuclein—An In Silico and Experimental Approach to …

SA Frantzeskos, MA Biggs, IA Banerjee - Biomimetics, 2024 - mdpi.com
Alpha-synuclein (ASyn) is a protein that is known to play a critical role in Parkinson's
disease (PD) due to its propensity for misfolding and aggregation. Furthermore, this process …

Map** the Distribution and Affinities of Ligand Interaction Sites on Human Serum Albumin

A Orr, A Uwakweh, X Li, A Karanji, S Hoag, D Deredge… - 2024 - chemrxiv.org
Ligands in many instances interact with a protein at multiple sites with a range of affinities. In
the present study, ligand-protein interaction sites on Human Serum Albumin (HSA) are …