Leveraging AlphaFold2 structural space exploration for generating drug target structures in structure-based virtual screening
Computational virtual screening (VS) plays a vital role in early-stage drug discovery by enabling the efficient selection of candidate compounds and reducing associated costs. However, the absence of experimentally determined three-dimensional protein structures often limits the applicability of str...
Saved in:
| Main Authors: | Keisuke Uchikawa, Kairi Furui, Masahito Ohue |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2025-09-01
|
| Series: | Biochemistry and Biophysics Reports |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2405580825001979 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
-
Identification of novel compounds against Trypanosoma cruzi using AlphaFold structures
by: Albert Ros-Lucas, et al.
Published: (2025-01-01) -
Reliable protein–protein docking with AlphaFold, Rosetta, and replica exchange
by: Ameya Harmalkar, et al.
Published: (2025-05-01) -
Transforming malignant salivary gland tumor (MSGTs) treatment with AlphaFold: A promising approach
by: Lucas Alves da Mota Santana, et al.
Published: (2025-09-01) -
Modeling the different conformations of the human mitochondrial ADP/ATP carrier using AlphaFold and molecular dynamics simulations of the protein-ligand complexes
by: Virginia Quadrotta, et al.
Published: (2025-01-01) -
Viral replication modulated by hallmark conformational ensembles: how AlphaFold-predicted features of RdRp folding dynamics combined with intrinsic disorder-mediated function enable RNA virus discovery
by: Rachid Tahzima, et al.
Published: (2025-08-01)