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Published in 2023 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.3c00240
Abstract: Markov state models represent a popular means to interpret molecular dynamics trajectories in terms of memoryless transitions between metastable conformational states. To provide a mechanistic understanding of the considered biomolecular process, these states should reflect…
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Keywords:
features markov;
study hp35;
selecting features;
case study ... See more keywords
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Published in 2018 at "Science and Technology for the Built Environment"
DOI: 10.1080/23744731.2018.1444304
Abstract: The current issue of the Science and Technology for the Built Environment presents 10 articles that cover a wide range of topics: From measuring heat gain values of office equipment to modeling phase change materials…
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Keywords:
studies optimization;
modeling case;
case studies;
optimization methods ... See more keywords