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Unraveling the effects of amino acid substitutions enhancing lipase resistance to an ionic liquid: a molecular dynamics study.
Understanding of the structural and dynamic properties of enzymes in non-aqueous media (e.g., ionic liquids, ILs) is highly attractive for protein engineers and synthetic biochemists. Despite aExpand
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Systematically Scrutinizing the Impact of Substitution Sites on Thermostability and Detergent Tolerance for Bacillus subtilis Lipase A
We extend our knowledge on guidelines for protein engineering following a data-driven approach by scrutinizing the impact of substitution sites on thermostability or / and detergent tolerance for Bacillus subtilis lipase A (BsLipA) at very large scale. Expand
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Exploring the Protein Stability Landscape: Bacillus subtilis Lipase A as a Model for Detergent Tolerance
A systematic study was conducted with Bacillus subtilis lipase A (BSLA) to determine the effect of every single amino acid substitution on detergent tolerance. BSLA is a minimal α/β‐hydrolase of 181Expand
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Application of Rigidity Theory to the Thermostabilization of Lipase A from Bacillus subtilis
We describe and validate a novel, ensemble-based, yet highly efficient strategy based on the CNA approach to predict optimal amino acid substitutions at structural weak spots for improving a protein’s thermostability. Expand
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Exchange of single amino acids at different positions of a recombinant protein affects metabolic burden in Escherichia coli
BackgroundEscherichia coli is commonly used in academia and industry for expressing recombinant proteins because of its well-characterized molecular genetics and the availability of numerousExpand
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Towards Understanding Directed Evolution: More than Half of All Amino Acid Positions Contribute to Ionic Liquid Resistance of Bacillus subtilis Lipase A
Ionic liquids (ILs) are attractive (co‐)solvents for biocatalysis. However, in high concentration (>10 % IL), enzymes usually show decreased activity. No general principles have been discovered toExpand
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Optimal Scanning of All Single-Point Mutants of a Protein
We model and analyze an iterative two-stage procedure to generate all single-point mutants of a protein, and derive its optimal value given the experimental parameters. Expand
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A combination of mutational and computational scanning guides the design of an artificial ligand-binding controlled lipase
Allostery, i.e. the control of enzyme activity by a small molecule at a location distant from the enzyme’s active site, represents a mechanism essential for sustaining life. The rational design ofExpand
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Exploring the full natural diversity of single amino acid exchange reveals that 40–60% of BSLA positions improve organic solvents resistance
ObjectivesProtein engineering has been employed to successfully improve organic solvent resistance of enzymes. Exploration of nature’s full potential (how many beneficial positions/beneficialExpand
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High-Throughput Screening Assays for Lipolytic Enzymes.
Screening is defined as the identification of hits within a large library of variants of an enzyme or protein with a predefined property. In theory, each variant present in the respective libraryExpand
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