Utility of B-factors in protein science: interpreting rigidity, flexibility, and internal motion and engineering thermostability

Z Sun, Q Liu, G Qu, Y Feng, MT Reetz - Chemical reviews, 2019 - ACS Publications
The term B-factor, sometimes called the Debye–Waller factor, temperature factor, or atomic
displacement parameter, is used in protein crystallography to describe the attenuation of X …

Computational enzyme design

G Kiss, N Çelebi‐Ölçüm, R Moretti… - Angewandte Chemie …, 2013 - Wiley Online Library
Recent developments in computational chemistry and biology have come together in the
“inside‐out” approach to enzyme engineering. Proteins have been designed to catalyze …

Stabilizing biocatalysts

AS Bommarius, MF Paye - Chemical Society Reviews, 2013 - pubs.rsc.org
The area of biocatalysis itself is in rapid development, fueled by both an enhanced
repertoire of protein engineering tools and an increasing list of solved problems …

Laboratory evolution of stereoselective enzymes: a prolific source of catalysts for asymmetric reactions

MT Reetz - Angewandte Chemie International Edition, 2011 - Wiley Online Library
Asymmetric catalysis plays a key role in modern synthetic organic chemistry, with synthetic
catalysts and enzymes being the two available options. During the latter part of the last …

Enantioselective enzymatic desymmetrizations in organic synthesis

E García-Urdiales, I Alfonso, V Gotor - Chemical Reviews, 2005 - ACS Publications
During the recent past years, tremendous efforts have been made to establish
enantioselective routes for the preparation of enantiomerically pure compounds due to their …

Eigenvector centrality for characterization of protein allosteric pathways

CFA Negre, UN Morzan… - Proceedings of the …, 2018 - National Acad Sciences
Determining the principal energy-transfer pathways responsible for allosteric communication
in biomolecules remains challenging, partially due to the intrinsic complexity of the systems …

Enhanced enzyme kinetic stability by increasing rigidity within the active site

Y **e, J An, G Yang, G Wu, Y Zhang, L Cui… - Journal of Biological …, 2014 - ASBMB
Enzyme stability is an important issue for protein engineers. Understanding how rigidity in
the active site affects protein kinetic stability will provide new insight into enzyme …

FireProt: energy-and evolution-based computational design of thermostable multiple-point mutants

D Bednar, K Beerens, E Sebestova… - PLoS computational …, 2015 - journals.plos.org
There is great interest in increasing proteins' stability to enhance their utility as biocatalysts,
therapeutics, diagnostics and nanomaterials. Directed evolution is a powerful, but …

Strategy and success for the directed evolution of enzymes

PA Dalby - Current opinion in structural biology, 2011 - Elsevier
Directed evolution is widely used to improve enzymes, particularly for industrial biocatalytic
processes. Molecular biology advances present many new strategies for directed evolution …

The importance of additive and non-additive mutational effects in protein engineering.

MT Reetz - Angewandte Chemie International Edition, 2013 - search.ebscohost.com
Additive or non‐additive, that is the question: The increasing awareness of non‐additive
cooperative mutational effects in protein engineering is currently providing new theoretical …