Recent research by part of our team has studied the reduction of macromolecular simulations. The motivation for reduction stems from the disparities in time and ...
Introduction. Model reduction is an important systems task in physics and engineering modeling, and it has a long history in chemical engineering marked by ...
Model reduction is an important systems task with a long history in traditional chemical engineering modeling. We discuss its interplay with modern ...
Abstract. Model reduction is an important systems task with a long history in traditional chemical engineering modeling. We discuss its interplay with modern ...
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Dive into the research topics of 'State reduction in molecular simulations'. Together they form a unique fingerprint. Sort by; Weight · Alphabetically. Chemical ...
State reduction in molecular simulations ; Elsevier, Kidlington. Publication country: United Kingdom ; Conference Paper. Language: English ; Inist-CNRS. Database ...
Nov 2, 2017 · The dimension-reduced data is then used to estimate the implied timescales of the slow- est process by a Markov state model analysis to assess ...
Nov 29, 2018 · This document provides a starting point for approaching molecular simulations, guiding beginning practitioners to what issues they need to ...
Jul 11, 2023 · Using dihedral analysis, we cluster all available experimental Hsp90 NTD structures into distinct native states. We then perform unbiased ...
Newton's first law of motion states that an object in a state of uniform motion maintains that motion unless an external force is applied to the object ...