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dc.contributor | Universitat Politècnica de Catalunya. Departament de Matemàtica Aplicada III |
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dc.contributor | Universitat Politècnica de Catalunya. LACÀN - Mètodes Numèrics en Ciències Aplicades i Enginyeria |
dc.contributor.author | Hashemian, B. |
dc.contributor.author | Arroyo Balaguer, Marino |
dc.date | 2015-01-28 |
dc.identifier.citation | Hashemian, B.; Arroyo, M. Topological obstructions in the way of data-driven collective variables. "Journal of chemical physics", 28 Gener 2015, vol. 142, núm. 4, p. 044102-1-044102-6. |
dc.identifier.citation | 0021-9606 |
dc.identifier.citation | 10.1063/1.4906425 |
dc.identifier.uri | http://hdl.handle.net/2117/27154 |
dc.language.iso | eng |
dc.relation | http://scitation.aip.org/content/aip/journal/jcp/142/4/10.1063/1.4906425 |
dc.relation | info:eu-repo/grantAgreement/EC/FP7/240487/EU/Predictive models and simulations in nano- and biomolecular mechanics: a multiscale approach/PREDMODSIM |
dc.rights | info:eu-repo/semantics/openAccess |
dc.subject | Àrees temàtiques de la UPC::Matemàtiques i estadística::Matemàtica aplicada a les ciències |
dc.subject | Molecular dynamics--Simulation simulation |
dc.subject | NONLINEAR DIMENSIONALITY REDUCTION |
dc.subject | MOLECULAR-DYNAMICS SIMULATIONS |
dc.subject | FREE-ENERGY LANDSCAPES |
dc.subject | SKETCH-MAP |
dc.subject | DIFFUSION MAPS |
dc.subject | PROTEINS |
dc.subject | SPACE |
dc.subject | MANIFOLDS |
dc.subject | Dinàmica molecular |
dc.title | Topological obstructions in the way of data-driven collective variables |
dc.type | info:eu-repo/semantics/submittedVersion |
dc.type | info:eu-repo/semantics/article |
dc.description.abstract | |
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