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 …
New Insights into the Cooperativity and Dynamics of Dimeric Enzymes
KW Chen, TY Sun, YD Wu - Chemical Reviews, 2023 - ACS Publications
A survey of protein databases indicates that the majority of enzymes exist in oligomeric
forms, with about half of those found in the UniProt database being homodimeric …
forms, with about half of those found in the UniProt database being homodimeric …
The Bio3D packages for structural bioinformatics
Bio3D is a family of R packages for the analysis of biomolecular sequence, structure, and
dynamics. Major functionality includes biomolecular database searching and retrieval …
dynamics. Major functionality includes biomolecular database searching and retrieval …
The role of protein dynamics in the evolution of new enzyme function
Enzymes must be ordered to allow the stabilization of transition states by their active sites,
yet dynamic enough to adopt alternative conformations suited to other steps in their catalytic …
yet dynamic enough to adopt alternative conformations suited to other steps in their catalytic …
Generalized correlation-based dynamical network analysis: a new high-performance approach for identifying allosteric communications in molecular dynamics …
Molecular interactions are essential for regulation of cellular processes from the formation of
multi-protein complexes to the allosteric activation of enzymes. Identifying the essential …
multi-protein complexes to the allosteric activation of enzymes. Identifying the essential …
Emerging computational methods for the rational discovery of allosteric drugs
Allosteric drug development holds promise for delivering medicines that are more selective
and less toxic than those that target orthosteric sites. To date, the discovery of allosteric …
and less toxic than those that target orthosteric sites. To date, the discovery of allosteric …
Harnessing conformational plasticity to generate designer enzymes
Recent years have witnessed an explosion of interest in understanding the role of
conformational dynamics both in the evolution of new enzymatic activities from existing …
conformational dynamics both in the evolution of new enzymatic activities from existing …
Allostery without a conformational change? Revisiting the paradigm
Highlights•Classically, allostery induces a functional switch through a conformational
change.•Lately numerous studies concluded that allostery takes place through …
change.•Lately numerous studies concluded that allostery takes place through …
Time evolution of the millisecond allosteric activation of imidazole glycerol phosphate synthase
C Calvó-Tusell, MA Maria-Solano… - Journal of the …, 2022 - ACS Publications
Deciphering the molecular mechanisms of enzymatic allosteric regulation requires the
structural characterization of functional states and also their time evolution toward the …
structural characterization of functional states and also their time evolution toward the …
[HTML][HTML] NMR tools to detect protein allostery
Allostery is a fundamental mechanism of cellular homeostasis by intra-protein
communication between distinct functional sites. It is an internal process of proteins to steer …
communication between distinct functional sites. It is an internal process of proteins to steer …