Guarnera E
Disrupted chromatin architecture in olfactory sensory neurons: looking for the link from COVID-19 infection to anosmia
The COVID-19 pandemic, caused by the SARS-CoV-2 coronavirus, has placed significant strain on medical resources worldwide, and early detection and isolation has been the primary strategy by which, research establishments and governments worked to contain the disease spread.
ReadSequence-dependent model of allosteric communication
The omnipresence and diversity of allosteric regulation in proteins and protein associations complemented by the potential for the design of allosterically acting biologics and drugs call for the development of a new generation of computational models for the analysis of allostery and rational engineering/design of desired signaling and effector molecules determining it.
ReadAlloMAPS 2: allosteric fingerprints of the AlphaFold and Pfam-trRosetta predicted structures for engineering and design
AlloMAPS 2 is an update of the Allosteric Mutation Analysis and Polymorphism of Signalling database, which contains data on allosteric communication obtained for predicted structures in the AlphaFold database (AFDB) and trRosetta-predicted Pfam domains.
ReadAllosteric perspective on the mutability and druggability of the SARS-CoV-2 Spike protein
Keywords: SARS-CoV-2; Spike protein; allosteric drugs; allosteric effects of mutations; allostery; drug design; druggability; mutability.
ReadAllosteric perspective on the mutability and druggability of the SARS-CoV-2 Spike protein
Keywords: SARS-CoV-2; Spike protein; allosteric drugs; allosteric effects of mutations; allostery; drug design; druggability; mutability.
ReadThree-dimensional Chromatin Ensemble Reconstruction via Stochastic Embedding
We propose a novel method for reconstructing the whole-genome chromatin ensemble from the Hi-C data. The procedure starts from the Markov State Modelling (MSM), delineating structural hierarchy of chromatin organization with partitioning and effective interactions archetypal for corresponding levels of hierarchy.
ReadDisorder driven allosteric control of protein activity
Studies of protein allostery increasingly reveal an involvement of the back and forth order-disorder transitions in this mechanism of protein activity regulation. Here, we investigate the allosteric mechanisms mediated by structural disorder using the structure-based statistical mechanical model of allostery (SBSMMA) that we have previously developed.
ReadAlloSigMA 2: paving the way to designing allosteric effectors and to exploring allosteric effects of mutations
The AlloSigMA 2 server provides an interactive platform for exploring the allosteric signaling caused by ligand binding and/or mutations, for analyzing the allosteric effects of mutations and for detecting potential cancer drivers and pathogenic nsSNPs. It can also be used for searching latent allosteric sites and for computationally designing allosteric effectors for these sites with required agonist/antagonist activity.
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