M01 tool: an automated, comprehensive computational tool for generating small molecule-peptide hybrids and docking them into curated protein structures
Abstract Background The field of computational drug design is undergoing rapid advancements, highlighting the need for innovative methods to enhance the efficiency and accuracy of calculating ligand-receptor interactions. In this context, we introduce the M01 tool, a comprehensive computational pack...
Saved in:
| Main Authors: | Mahsa Sheikholeslami, Mohammad Hasan Nazari, Afshin Fassihi |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
BMC
2025-04-01
|
| Series: | BMC Bioinformatics |
| Subjects: | |
| Online Access: | https://doi.org/10.1186/s12859-025-06120-5 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
-
Comparison of new secondgeneration H1 receptor blockers with some molecules; a study involving DFT, molecular docking, ADMET, biological target and activity
by: Velid Unsal, et al.
Published: (2025-01-01) -
Synthesis, characterization, biological activity, and modelling protein docking of divalent, trivalent, and tetravalent metal ion complexes of new azo dye ligand (N,N,O) derived from benzimidazole
by: Ali Mahmood Taher, et al.
Published: (2024-12-01) -
ADMET, drug-likeness analyses of N-cyclohexylacrylamide: a first study on molecular docking and dynamic with DAPK1 and associated proteins
by: Nevin Çankaya, et al.
Published: (2025-05-01) -
VALUATION OF THE ANTI-LEISHMANIAL POTENTIAL OF SOME PROMINENT LEAD COMPOUNDS AGAINST PYRIDOXAL KINASE IN COMPLEX WITH ADENOSINE DIPHOSPHATE AND PYRIDOXINE: A COMPARATIVE STUDY
by: Fabian Audu Ugbe, et al.
Published: (2024-10-01) -
Enhancing substrate specificity of microbial transglutaminase for precise nanobody labeling
by: Xinglong Wang, et al.
Published: (2025-03-01)