[HTML][HTML] Biocatalysis
Biocatalysis has become an important aspect of modern organic synthesis, both in
academia and across the chemical and pharmaceutical industries. Its success has been …
academia and across the chemical and pharmaceutical industries. Its success has been …
Loop dynamics and the evolution of enzyme activity
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 …
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
Ketones are crucial intermediates in synthesis and frequent moieties in many products. The
direct regioselective synthesis of ketones from internal alkenes could simplify synthetic …
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 …
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 …
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 …
protein engineering. Traditional rational design was based on the analysis of protein …
Evolution of dynamical networks enhances catalysis in a designer enzyme
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 …
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 …
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 …
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 …
mechanistic basis that drives allosteric regulation is poorly understood but harbors key …