IMR Press / FBE / Special Issues / protein_engineering

Advances in Protein Engineering Assisted by Computational Methods

Submission deadline: 20 December 2023
Special Issue Editor
  • David González Pérez, PhD
    Department of Biocatalysis, Institute of Catalysis and Petrochemistry, CSIC, C/Marie Curie 2, Madrid, Spain
    Interests: directed evolution; high-throughput screening; applied biocatalysis; plastic degradation; sustainable chemistry; computational design
Special Issue Information

Dear Colleagues,

Today’s world is demanding new biotechnological processes dependent on efficient biocatalysts able to work under industrial conditions that require high operational stability, activity and selectivity. As such, the generation of process-specific enzymes involves iterative rounds of optimization where protein and computational engineering must coalesce. Emergent AlphaFold is helping to alleviate protein design campaigns, at a time when developments in computational design are drastically changing.

This special issue focuses on new trends in computational protein design aimed at streamlining experimental efforts and resources for protein engineering. From the use of artificial intelligence (AI), ancestral sequence reconstruction (ASR), to the application of atomistic design and molecular dynamic simulations, this special issue will illustrate this fascinating new research with several case-studies of the new-to-engineering biocatalysts in a range of biotechnological applications.

Authors are highly encouraged to submit original articles or reviews describing approaches that use computational algorithms for the design of industrial biocatalysts. The topics of this special issue include (but are not limited to):

● Protein engineering guided by artificial intelligence or atomistic design calculations
● The association of ancestral sequence reconstruction (ASR) and laboratory evolution
● Experimental protocols to generate valuable data as input for computational algorithms
● Methods to improve the accuracy of computational algorithms for increasing prediction effectiveness
● QM/MM, Molecular dynamics and ligand diffusion simulation approaches to perform computationally-guided directed evolution.

Dr.  David González Pérez

Guest Editor

protein engineering
computational design
directed evolution
industrial biocatalyst
Manuscript Submission Information

Manuscripts should be submitted via our online editorial system at by registering and logging in to this website. Once you are registered, click here to start your submission. Manuscripts can be submitted now or up until the deadline. All papers will go through peer-review process. Accepted papers will be published in the journal (as soon as accepted) and meanwhile listed together on the special issue website. Research articles, reviews as well as short communications are preferred. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office to announce on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts will be thoroughly refereed through a double-blind peer-review process. Please visit the Instruction for Authors page before submitting a manuscript. The Article Processing Charge (APC) in this open access journal is 500 USD. Submitted manuscripts should be well formatted in good English.

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