MD simulation-based screening approach identified tolvaptan as a potential inhibitor of Eg5

J Sebastian, D Raghav, K Rathinasamy - Molecular Diversity, 2023 - Springer
We discovered tolvaptan as a new Eg5 inhibitor using molecular dynamics simulation-based
virtual screening. The Eg5-monastrol, Eg5-ispinesib, and Eg5-STLC complexes with …
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MD simulation-based screening approach identified tolvaptan as a potential inhibitor of Eg5.

J Sebastian, D Raghav, K Rathinasamy - Molecular Diversity, 2022 - europepmc.org
We discovered tolvaptan as a new Eg5 inhibitor using molecular dynamics simulation-based
virtual screening. The Eg5-monastrol, Eg5-ispinesib, and Eg5-STLC complexes with" …

MD simulation-based screening approach identified tolvaptan as a potential inhibitor of Eg5

J Sebastian, D Raghav… - Molecular …, 2023 - pubmed.ncbi.nlm.nih.gov
We discovered tolvaptan as a new Eg5 inhibitor using molecular dynamics simulation-based
virtual screening. The Eg5-monastrol, Eg5-ispinesib, and Eg5-STLC complexes with" …

MD simulation-based screening approach identified tolvaptan as a potential inhibitor of Eg5

J Sebastian, D Raghav, K Rathinasamy - Molecular Diversity, 2023 - search.proquest.com
We discovered tolvaptan as a new Eg5 inhibitor using molecular dynamics simulation-based
virtual screening. The Eg5-monastrol, Eg5-ispinesib, and Eg5-STLC complexes with …