Prediction of New Stabilizing Mutations Based on Mechanistic Insights from Markov State Models
Sign Up to like & getrecommendations! Published in 2017 at "ACS Central Science"
DOI: 10.1021/acscentsci.7b00465
Abstract: Protein stabilization is fundamental to enzyme function and evolution, yet understanding the determinants of a protein’s stability remains a challenge. This is largely due to a shortage of atomically detailed models for the ensemble of… read more here.
Keywords: prediction new; new stabilizing; stabilizing mutations; markov state ... See more keywords
Insights into Rational Design of a New Class of Allosteric Effectors with Molecular Dynamics Markov State Models and Network Theory
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DOI: 10.1021/acsomega.1c05624
Abstract: The development of drugs to restore protein function has been a major advance facilitated by molecular medicine. Allosteric regulation, a phenomenon widely observed in nature, in which a molecule binds to control a distance active… read more here.
Keywords: state models; molecular dynamics; network theory; markov state ... See more keywords
Aging in binary-state models: The Threshold model for complex contagion.
Sign Up to like & getrecommendations! Published in 2022 at "Physical review. E"
DOI: 10.1103/physreve.107.024101
Abstract: We study the non-Markovian effects associated with aging for binary-state dynamics in complex networks. Aging is considered as the property of the agents to be less prone to change their state the longer they have… read more here.
Keywords: state; binary state; threshold model; model ... See more keywords