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Journal of Biomolecular Structure and Dynamics Volume 37, 2019 - Issue 6
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Research Article

Structural, molecular motions, and free-energy landscape of Leishmania sterol-14α-demethylase wild type and drug resistant mutant: a comparative molecular dynamics study

Saravanan VijayakumarDepartment of Statistics/Bioinformatics, Rajendra Memorial Research Institute of Medical Science, Indian Council for Medical Research, Agamkuan, Patna800007, Bihar, IndiaCorrespondence[email protected]
[email protected]
ORCID Iconhttp://orcid.org/0000-0001-5145-0384
ORCID Icon &
Pradeep DasDepartment of Molecular Biology/Bioinformatics Centre, Rajendra Memorial Research Institute of Medical Science, Indian Council for Medical Research, Agamkuan, Patna800007, Bihar, India
Pages 1477-1493 | Received 16 Jan 2018, Accepted 27 Mar 2018, Published online: 18 Apr 2018

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Shalini Yadav, Haraprasad Mandal, Vijayakumar Saravanan, Pradeep Das & Shubhankar Kumar Singh. (2021) In vitro and in silico analysis of L. donovani enoyl acyl carrier protein reductase - A possible drug target. Journal of Biomolecular Structure and Dynamics 39:16, pages 6056-6069.
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ShaoLi Lyu & Wang Wang. (2021) Spectroscopic methodologies and computational simulation studies on the characterization of the interaction between human serum albumin and astragalin. Journal of Biomolecular Structure and Dynamics 39:8, pages 2959-2970.
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Semanti Ghosh & Angshuman Bagchi. (2021) Protein dynamics and molecular motions study in relation to molecular interaction between proteins from sulfur oxidizing proteobacteria Allochromatium vinosum. Journal of Biomolecular Structure and Dynamics 39:8, pages 2771-2787.
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Tayane Honorato Siqueira & Leandro Martínez. (2020) Molecular simulations of fluconazole-mediated inhibition of sterol biosynthesis. Journal of Biomolecular Structure and Dynamics 38:6, pages 1659-1669.
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S. R. Shruti & R. Rajasekaran. (2019) Identification of protegrin-1 as a stable and nontoxic scaffold among protegrin family – a computational approach. Journal of Biomolecular Structure and Dynamics 37:9, pages 2430-2439.
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Li-Quan Yang, Gui-Yuan Chen, Yi Li, Ruo-Peng Zhang, Shu-Qun Liu & Peng Sang. (2019) Insight derived from molecular dynamics simulation into dynamics and molecular motions of cuticle-degrading serine protease Ver112. Journal of Biomolecular Structure and Dynamics 37:8, pages 2004-2016.
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Articles from other publishers (2)

VV Chagovets, NL Starodubtseva & VE Frankevich. (2020) Complexes of fluconazole with alanine, lysine and threonine: mass spectrometry and theoretical modeling. Bulletin of Russian State Medical University:2020(4), pages 54-59.
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Saravanan Vijayakumar, Vishnu Kant & Pradeep Das. (2019) LeishInDB: A web-accessible resource for small molecule inhibitors against Leishmania sp. Acta Tropica 190, pages 375-379.
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