000857529 001__ 857529 000857529 005__ 20240625095126.0 000857529 0247_ $$2doi$$a10.1021/acs.jpclett.8b02380 000857529 0247_ $$2pmid$$apmid:30358398 000857529 0247_ $$2WOS$$aWOS:000451362100002 000857529 0247_ $$2altmetric$$aaltmetric:50263361 000857529 0247_ $$2Handle$$a2128/22891 000857529 037__ $$aFZJ-2018-06520 000857529 082__ $$a530 000857529 1001_ $$0P:(DE-Juel1)169313$$aMaggi, Luca$$b0$$ufzj 000857529 245__ $$aVibrational Energy in Proteins Correlates with Topology 000857529 260__ $$aWashington, DC$$bACS$$c2018 000857529 3367_ $$2DRIVER$$aarticle 000857529 3367_ $$2DataCite$$aOutput Types/Journal article 000857529 3367_ $$0PUB:(DE-HGF)16$$2PUB:(DE-HGF)$$aJournal Article$$bjournal$$mjournal$$s1552653860_21968 000857529 3367_ $$2BibTeX$$aARTICLE 000857529 3367_ $$2ORCID$$aJOURNAL_ARTICLE 000857529 3367_ $$00$$2EndNote$$aJournal Article 000857529 520__ $$aThe exchange of vibrational energy in proteins is crucial for their function. Here, we establish a connection between quantities related to it with geometry-based properties such as the proteins’ residues coordination number. This relation is proven by molecular simulation in a neuro-pharmacologically relevant transmembrane receptor. The connection demonstrated here paves the way to studies of protein allostery and conformational changes based solely on protein structure 000857529 536__ $$0G:(DE-HGF)POF3-571$$a571 - Connectivity and Activity (POF3-571)$$cPOF3-571$$fPOF III$$x0 000857529 536__ $$0G:(DE-HGF)POF3-511$$a511 - Computational Science and Mathematical Methods (POF3-511)$$cPOF3-511$$fPOF III$$x1 000857529 536__ $$0G:(DE-Juel1)jias59_20161101$$aTowards the design of allosteric ligands binding to the human muscarinic receptor M2 (jias59_20161101)$$cjias59_20161101$$fTowards the design of allosteric ligands binding to the human muscarinic receptor M2$$x2 000857529 588__ $$aDataset connected to CrossRef 000857529 7001_ $$0P:(DE-Juel1)145614$$aCarloni, P.$$b1 000857529 7001_ $$0P:(DE-Juel1)145921$$aRossetti, G.$$b2$$eCorresponding author 000857529 773__ $$0PERI:(DE-600)2522838-9$$a10.1021/acs.jpclett.8b02380$$gVol. 9, no. 22, p. 6393 - 6398$$n22$$p6393 - 6398$$tThe journal of physical chemistry letters$$v9$$x1948-7185$$y2018 000857529 8564_ $$uhttps://juser.fz-juelich.de/record/857529/files/acs.jpclett.8b02380.pdf$$yRestricted 000857529 8564_ $$uhttps://juser.fz-juelich.de/record/857529/files/Article1_resubmission_final.pdf$$yPublished on 2018-10-14. 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