<?xml version="1.0" encoding="utf-8"?>
<export-example>
  <doc>
    <id>9070</id>
    <completedYear/>
    <publishedYear>2020</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>124</pageFirst>
    <pageLast>131</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>61</volume>
    <type>article</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Dynamical reweighting methods for Markov models</title>
    <abstract language="eng">Conformational dynamics is essential to biomolecular processes. Markov State Models (MSMs) are widely used to elucidate dynamic properties of molecular systems from unbiased Molecular Dynamics (MD). However, the implementation of reweighting schemes for MSMs to analyze biased simulations is still at an early stage of development. Several dynamical reweighing approaches have been proposed, which can be classified as approaches based on (i) Kramers rate theory, (ii) rescaling of the probability density flux, (iii) reweighting by formulating a likelihood function, (iv) path reweighting. We present the state-of-the-art and discuss the methodological differences of these methods, their limitations and recent applications.</abstract>
    <parentTitle language="eng">Current Opinion in Structural Biology</parentTitle>
    <identifier type="doi">10.1016/j.sbi.2019.12.018</identifier>
    <enrichment key="PeerReviewed">yes</enrichment>
    <enrichment key="AcceptedDate">2020-01-17</enrichment>
    <enrichment key="opus.source">publish</enrichment>
    <author>Stefanie Kieninger</author>
    <submitter>Luca Donati</submitter>
    <author>Luca Donati</author>
    <author>Bettina G. Keller</author>
    <collection role="institutes" number="MSoCP">Modeling and Simulation of Complex Processes</collection>
    <collection role="persons" number="donati">Donati, Luca</collection>
  </doc>
</export-example>
