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Publications tagged with this subject: 19

Note: Top 50 publications shown only. Open an item panel to view more info (open all)


1. Discovery of novel inhibitors for Leishmania nucleoside diphosphatase kinase (NDK) based on its structural and functional characterization

2. QSAR modeling and in silico design of small-molecule inhibitors targeting the interaction between E3 ligase VHL and HIF-1$$\alpha $$ α

3. Efficient conformational sampling and weak scoring in docking programs? Strategy of the wisdom of crowds

4. Discovery of Therapeutic Lead Molecule Against β-Tubulin Using Computational Approach

5. Discovery of non-peptidic small molecule inhibitors of cyclophilin D as neuroprotective agents in Aβ-induced mitochondrial dysfunction

6. Docking-based virtual screening of Brazilian natural compounds using the OOMT as the pharmacological target database

7. Identification of Phytochemicals Targeting c-Met Kinase Domain using Consensus Docking and Molecular Dynamics Simulation Studies

8. Quantum probability ranking principle for ligand-based virtual screening

9. Comparative analyses of structural features and scaffold diversity for purchasable compound libraries

10. Ensemble-based virtual screening: identification of a potential allosteric inhibitor of Bcr-Abl

11. Molecular screening and analysis of novel therapeutic inhibitors against c-Jun N-terminal kinase

12. Database fingerprint (DFP): an approach to represent molecular databases

13. A cross docking pipeline for improving pose prediction and virtual screening performance

14. In silico Discovery of Novel FXa Inhibitors by Pharmacophore Modeling and Molecular Docking

15. Optimal affinity ranking for automated virtual screening validated in prospective D3R grand challenges

16. Large-scale virtual screening on public cloud resources with Apache Spark

17. Predicting DPP-IV inhibitors with machine learning approaches

18. Design, synthesis and cytotoxic evaluation of a novel series of benzo[d]thiazole-2-carboxamide derivatives as potential EGFR inhibitors

19. Discovery of Potent ALK Inhibitors Using Pharmacophore-Informatics Strategy


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