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Journal of Biomolecular Structure and Dynamics Volume 41, 2023 - Issue 12
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Research Articles

A combination strategy of structure-based virtual screening, MM-GBSA, cross docking, molecular dynamics and metadynamics simulations used to investigate natural compounds as potent and specific inhibitors of tumor linked human carbonic anhydrase IX

Varun ChahalComputational Chemistry Group, Department of Chemistry, University of Delhi, Delhi, India
&
Rita KakkarComputational Chemistry Group, Department of Chemistry, University of Delhi, Delhi, IndiaCorrespondence[email protected]
Pages 5465-5480 | Received 23 Aug 2021, Accepted 03 Jun 2022, Published online: 23 Jun 2022

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