[HTML][HTML] Biocatalysis

EL Bell, W Finnigan, SP France, AP Green… - Nature Reviews …, 2021 - nature.com
Biocatalysis has become an important aspect of modern organic synthesis, both in
academia and across the chemical and pharmaceutical industries. Its success has been …

Loop dynamics and the evolution of enzyme activity

M Corbella, GP Pinto, SCL Kamerlin - Nature Reviews Chemistry, 2023 - nature.com
In the early 2000s, Tawfik presented his 'New View'on enzyme evolution, highlighting the
role of conformational plasticity in expanding the functional diversity of limited repertoires of …

Engineered cytochrome P450 for direct arylalkene-to-ketone oxidation via highly reactive carbocation intermediates

S Gergel, J Soler, A Klein, KH Schülke, B Hauer… - Nature Catalysis, 2023 - nature.com
Ketones are crucial intermediates in synthesis and frequent moieties in many products. The
direct regioselective synthesis of ketones from internal alkenes could simplify synthetic …

The challenge of predicting distal active site mutations in computational enzyme design

S Osuna - Wiley Interdisciplinary Reviews: Computational …, 2021 - Wiley Online Library
Many computational enzyme design approaches have been developed in recent years that
focus on a reduced set of key enzymatic features. Initial protocols mostly focused on the …

Decrypting Allostery in Membrane-Bound K-Ras4B Using Complementary In Silico Approaches Based on Unbiased Molecular Dynamics Simulations

M Castelli, F Marchetti, S Osuna… - Journal of the …, 2023 - ACS Publications
Protein functions are dynamically regulated by allostery, which enables conformational
communication even between faraway residues, and expresses itself in many forms, akin to …

Role of distal sites in enzyme engineering

J Gu, Y Xu, Y Nie - Biotechnology Advances, 2023 - Elsevier
The limitations associated with natural enzyme catalysis have triggered the rise of the field of
protein engineering. Traditional rational design was based on the analysis of protein …

Evolution of dynamical networks enhances catalysis in a designer enzyme

HA Bunzel, JLR Anderson, D Hilvert, VL Arcus… - Nature Chemistry, 2021 - nature.com
Activation heat capacity is emerging as a crucial factor in enzyme thermoadaptation, as
shown by the non-Arrhenius behaviour of many natural enzymes. However, its physical …

Conformational dynamics and enzyme evolution

D Petrović, VA Risso, SCL Kamerlin… - Journal of the …, 2018 - royalsocietypublishing.org
Enzymes are dynamic entities, and their dynamic properties are clearly linked to their
biological function. It follows that dynamics ought to play an essential role in enzyme …

Role of conformational dynamics in the evolution of novel enzyme function

MA Maria-Solano, E Serrano-Hervás… - Chemical …, 2018 - pubs.rsc.org
The free energy landscape concept that describes enzymes as an ensemble of differently
populated conformational sub-states in dynamic equilibrium is key for evaluating enzyme …

In Silico Identification and Experimental Validation of Distal Activity-Enhancing Mutations in Tryptophan Synthase

MA Maria-Solano, T Kinateder… - ACS …, 2021 - ACS Publications
Allostery is a central mechanism for the regulation of multi-enzyme complexes. The
mechanistic basis that drives allosteric regulation is poorly understood but harbors key …