Search Results - "Bevc, Staš"
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ENZO: a web tool for derivation and evaluation of kinetic models of enzyme catalyzed reactions
Published in PloS one (19-07-2011)“…We describe a web tool ENZO (Enzyme Kinetics), a graphical interface for building kinetic models of enzyme catalyzed reactions. ENZO automatically generates…”
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Adaptive resolution simulations of biomolecular systems
Published in European biophysics journal (01-12-2017)“…In this review article, we discuss and analyze some recently developed hybrid atomistic–mesoscopic solvent models for multiscale biomolecular simulations. We…”
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Journal Article -
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ESPResSo++: A modern multiscale simulation package for soft matter systems
Published in Computer physics communications (01-04-2013)“…The redesigned Extensible Simulation Package for Research on Soft matter systems (ESPResSo++) is a free, open-source, parallelized, object-oriented simulation…”
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STOCK: Structure mapper and online coarse-graining kit for molecular simulations
Published in Journal of computational chemistry (15-03-2015)“…We present a web toolkit STructure mapper and Online Coarse‐graining Kit for setting up coarse‐grained molecular simulations. The kit consists of two tools:…”
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Adaptive resolution simulation of salt solutions
Published in New journal of physics (08-10-2013)“…We present an adaptive resolution simulation of aqueous salt (NaCl) solutions at ambient conditions using the adaptive resolution scheme. Our multiscale…”
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Using tries for subset and superset queries
Published in Information technology interfaces (01-06-2009)“…This paper presents a data structure for storing and querying sets. The data structure is based on tries, but because the order of elements in a set is not…”
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