Residue mutations and their impact on protein structure and function: detecting beneficial and pathogenic changes
The present review focuses on the evolution of proteins and the impact of amino acid
mutations on function from a structural perspective. Proteins evolve under the law of natural …
mutations on function from a structural perspective. Proteins evolve under the law of natural …
Integrated computational approaches and tools for allosteric drug discovery
O Sheik Amamuddy, W Veldman, C Manyumwa… - International journal of …, 2020 - mdpi.com
Understanding molecular mechanisms underlying the complexity of allosteric regulation in
proteins has attracted considerable attention in drug discovery due to the benefits and …
proteins has attracted considerable attention in drug discovery due to the benefits and …
Allosteric regulation at the crossroads of new technologies: multiscale modeling, networks, and machine learning
Allosteric regulation is a common mechanism employed by complex biomolecular systems
for regulation of activity and adaptability in the cellular environment, serving as an effective …
for regulation of activity and adaptability in the cellular environment, serving as an effective …
Computational analysis of residue interaction networks and coevolutionary relationships in the Hsp70 chaperones: A community-hop** model of allosteric …
G Stetz, GM Verkhivker - PLoS Computational Biology, 2017 - journals.plos.org
Allosteric interactions in the Hsp70 proteins are linked with their regulatory mechanisms and
cellular functions. Despite significant progress in structural and functional characterization of …
cellular functions. Despite significant progress in structural and functional characterization of …
Understanding the evolution of immune genes in jawed vertebrates
Driven by co‐evolution with pathogens, host immunity continuously adapts to optimize
defence against pathogens within a given environment. Recent advances in genetics …
defence against pathogens within a given environment. Recent advances in genetics …
Enhancement in catalytic activity of Aspergillus niger XynB by selective site-directed mutagenesis of active site amino acids
X Wu, Z Tian, X Jiang, Q Zhang, L Wang - Applied microbiology and …, 2018 - Springer
XynB from Aspergillus niger ATCC1015 (An XynB) is a mesophilic glycoside hydrolase (GH)
family 11 xylanase which holds great potentials in a wide variety of industrial applications. In …
family 11 xylanase which holds great potentials in a wide variety of industrial applications. In …
Coevolution, dynamics and allostery conspire in sha** cooperative binding and signal transmission of the SARS-CoV-2 spike protein with human angiotensin …
G Verkhivker - International Journal of Molecular Sciences, 2020 - mdpi.com
Binding to the host receptor is a critical initial step for the coronavirus SARS-CoV-2 spike
protein to enter into target cells and trigger virus transmission. A detailed dynamic and …
protein to enter into target cells and trigger virus transmission. A detailed dynamic and …
Structure-encoded global motions and their role in mediating protein-substrate interactions
Recent structure-based computational studies suggest that, in contrast to the classical
description of equilibrium fluctuations as wigglings and jigglings, proteins have access to …
description of equilibrium fluctuations as wigglings and jigglings, proteins have access to …
Enhanced unbiased sampling of protein dynamics using evolutionary coupling information
One of the major challenges in atomistic simulations of proteins is efficient sampling of
pathways associated with rare conformational transitions. Recent developments in statistical …
pathways associated with rare conformational transitions. Recent developments in statistical …
Coevolutionary forces sha** the fitness of SARS-CoV-2 spike glycoprotein against human receptor ACE2
P Priya, A Shanker - Infection, Genetics and Evolution, 2021 - Elsevier
The current global health problem caused by SARS-CoV-2 has challenged the scientific
community in various ways. Therefore, worldwide several scientific groups are exploring …
community in various ways. Therefore, worldwide several scientific groups are exploring …