Substrate docking and molecular dynamic simulation for prediction of fungal enzymes from species-assisted extraction of nanocellulose from oil palm leaves.

Fungi of the species are valued industrial enzymes in support of the 'zero-waste' technology to convert agro-industrial biomass into valuable products, i.e. nanocellulose (NC).

Haloadaptation: insights from comparative modeling studies between halotolerant and non-halotolerant dehalogenases.

Halophiles are extremophilic microorganisms that grow optimally at high salt concentrations by producing a myriad of equally halotolerant enzymes. Structural haloadaptation of these enzymes adept to thriving under high-salt environments, though are not fully understood. Herein, the study attempts an investigation to identify and comprehend the evolutionary structural adaptation of a halotolerant dehalogenase, DehHX (GenBank accession number: KR297065) of the halotolerant , over its non-halotolerant counterpart, DehMX1 (GenBank accession number KY129692) produced by .