Starting files for MD simulations in water and ions of haloalkane dehalogenase LinB and its mutants from Sphingomonas paucimobilis with substrates
Raczyńska, A.
Description
The project aims to find key residues for haloalkane dehalogenase LinB from Sphingomonas paucimobilis (PDB id: 1mj5) that contribute to the binding of enzymes substrates on this enzymes surface. The dataset contains starting files for MD simulations in water and ions of haloalkane dehalogenase LinB and its mutants from Sphingomonas paucimobilis with substrates. It also contains scripts for running MD simulations (AMBER18).
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Publication Details
Subfield
Pharmacology
Field
Medicine
Domain
Health Sciences
Confidence Score
86%
Source
Open Alex