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Journal of Biomolecular Structure and Dynamics Volume 40, 2022 - Issue 1
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Research Articles

Potential inhibitors of SARS-cov-2 RNA dependent RNA polymerase protein: molecular docking, molecular dynamics simulations and MM-PBSA analyses

Zouhair ElkarhatLaboratory of Genomics and Human Genetics, Département de la Recherche Scientifique, Institut Pasteur du Maroc, Casablanca, Morocco
,
Hicham CharouteLaboratory of Genomics and Human Genetics, Département de la Recherche Scientifique, Institut Pasteur du Maroc, Casablanca, Morocco
,
Lamiae ElkhattabiLaboratory of Genomics and Human Genetics, Département de la Recherche Scientifique, Institut Pasteur du Maroc, Casablanca, Morocco
,
Abdelhamid BarakatLaboratory of Genomics and Human Genetics, Département de la Recherche Scientifique, Institut Pasteur du Maroc, Casablanca, Morocco
&
Hassan RoubaLaboratory of Genomics and Human Genetics, Département de la Recherche Scientifique, Institut Pasteur du Maroc, Casablanca, MoroccoCorrespondence[email protected]
Pages 361-374 | Received 15 Apr 2020, Accepted 18 Aug 2020, Published online: 02 Sep 2020

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V. Natchimuthu, Mohnad Abdalla, Manasi Yadav, Ishita Chopra, Anushka Bhrdwaj, Khushboo Sharma, S. Ravi, Krishnan Ravikumar, Khalid J. Alzahrani, Tajamul Hussain & Anuraj Nayarisseri. (2022) Synthesis, crystal structure, hirshfeld surface analysis, molecular docking and molecular dynamics studies of novel olanzapinium 2,5-dihydroxybenzoate as potential and active antipsychotic compound. Journal of Experimental Nanoscience 17:1, pages 247-273.
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