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The conformational kinetics of enzymes can be reliably revealed when they are governed by Markovian dynamics. Hidden Markov Models (HMMs) are appropriate especially in the case of conformational states that are hardly distinguishable. However, the evolution of the conformational states of proteins mostly shows non-Markovian behavior, recognizable by non-monoexponential state dwell time histograms. The application of a Hidden Markov Model technique to a cyclic system demonstrating semi-Markovian dynamics is presented in this paper and the required extension of the model design is discussed. As standard ranking criteria of models cannot deal with these systems properly, a new approach is proposed considering the shape of the dwell time histograms. We observed the rotational kinetics of a single F1-ATPase alpha3beta3gamma sub-complex over six orders of magnitude of different ATP to ADP and Pi concentration ratios, and established a general model describing the kinetics for the entire range of concentrations. The HMM extension described here is applicable in general to the accurate analysis of protein dynamics.
1. Movement is the primary means by which animals obtain resources and avoid hazards. Most movement exhibits directional bias that is related to environmental features (taxis), such as the location of food patches, predators, ocean currents, or wind.
Metabolic heterogeneity is widely recognised as the next challenge in our understanding of non-genetic variation. A growing body of evidence suggests that metabolic heterogeneity may result from the inherent stochasticity of intracellular events. How
Non-coding RNA molecules fold into precise base pairing patterns to carry out critical roles in genetic regulation and protein synthesis. We show here that coupling systematic mutagenesis with high-throughput SHAPE chemical mapping enables accurate b
Generalizing manipulation skills to new situations requires extracting invariant patterns from demonstrations. For example, the robot needs to understand the demonstrations at a higher level while being invariant to the appearance of the objects, geo
This work introduces a number of algebraic topology approaches, such as multicomponent persistent homology, multi-level persistent homology and electrostatic persistence for the representation, characterization, and description of small molecules and