Ensemble-based, high-throughput virtual screening of potential inhibitor targeting putative farnesol dehydrogenase of Metisa plana (Lepidoptera: Psychidae)

Author:

Zifruddin Anis Nadyra,Mohamad Yusoff Mohamad Ariff,Abd Ghani Nur Syatila,Nor Muhammad Nor Azlan,Lam Kok Wai,Hassan Maizom

Funder

Universiti Kebangsaan Malaysia

Publisher

Elsevier BV

Subject

Computational Mathematics,Organic Chemistry,Biochemistry,Structural Biology

Reference77 articles.

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3. Optimisation of the additive CHARMM all-atom protein force field targeting improved sampling of the backbone φ, ψ and side-chain χ1 and χ2 dihedral angles;Best;J. Chem. Theory Comput.,2012

4. In silico characterisation of adipokinetic hormone receptor and screening for pesticide candidates against stick insect, Carausius morosus;Birgul Iyison;J. Mol. Graph Model,2020

5. Molecular modeling and dynamics simulation of alcohol dehydrogenase enzyme from high efficacy cellulosic ethanol-producing yeast mutant strain Pichia kudriavzevii BGY1-γm;Bisht;J. Biomol. Struct. Dyn.,2021

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