Author

S. Orioli

Listed by name: these papers carry no ORCID for this author, so different people with the same name may be mixed together.

Biology Disciplines

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Biophysics· 5 Biochemistry· 2

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Research Focus:protein folding & dynamics· 5 Approach:statistical model· 5 Assay:protein structure· 4 Approach:experimental assay· 3 Assay:structural biology· 3 Approach:deep learning· 2 Approach:biophysical modeling· 1 Assay:cryo-EM· 1

Frequent Co-Authors

K. Lindorff-Larsen· 4 shared F. Kümmerer· 3 shared C. G. Henning Hansen· 2 shared E. Biasini· 2 shared G. Spagnolli· 2 shared J. R. Requena· 2 shared K. Teilum· 2 shared M. Rigoli· 2 shared

Activity by Year

2018-2023 · peak 3/yr

Co-Author Collaboration Network

10 top collaborators · 17 mutual co-author links

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4 shared papersBiophysics

K. Lindorff-Larsen

Mutual co-authors in cluster

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7 papers

Recent·Most cited

Fitting Force Field parameters to NMR Relaxation Data

F. Kümmerer, S. Orioli, K. Lindorff-Larsen

This paper optimizes force field parameters using NMR relaxation data from T4 lysozyme and shows improved agreement with experimental data and better MD trajectory reweighting.

bioRxiv · Feb 10, 2023Biophysics

Double mutant of chymotrypsin inhibitor 2 stabilized through increased conformational entropy

Y. Gavrilov, F. Kümmerer, S. Orioli, A. Prestel, K. Lindorff-Larsen, K. Teilum

The paper investigates how mutations in CI2 affect conformational dynamics and stability, finding that increased native state entropy correlates with enhanced stability in double mutants.

bioRxiv · Nov 18, 2021Biophysics

Transient exposure of a buried phosphorylation site in an autoinhibited protein

S. Orioli, C. G. Henning Hansen, K. Lindorff-Larsen

This study investigates how an inhibitory domain of Vav1 autoinhibits by transiently exposing a phosphorylation site through conformational changes.

bioRxiv · May 10, 2021Biophysics

Ab-initio determination of the shape of membrane proteins in a nanodisc

S. Orioli, C. G. Henning Hansen, L. Arleth

The paper introduces Marbles, a software that uses SAXS data to predict the shape of membrane proteins in nanodiscs, validated on toy models and proteins with varying geometries.

bioRxiv · Sep 11, 2020Biophysics

Fitting side-chain NMR relaxation data using molecular simulations

F. Kümmerer, S. Orioli, D. Harding-Larsen, F. Hoffmann, Y. Gavrilov, K. Teilum, K. Lindorff-Larsen

The paper integrates side-chain NMR relaxation data with molecular dynamics simulations to improve the accuracy of protein dynamics models.

bioRxiv · Aug 18, 2020Biophysics

PHARMACOLOGICAL PROTEIN INACTIVATION BY TARGETING FOLDING INTERMEDIATES

G. Spagnolli, T. Massignan, A. Astolfi, S. Biggi, P. Brunelli, M. Libergoli, A. Ianeselli, S. Orioli, A. Boldrini, L. Terruzzi, G. Maietta, M. Rigoli, N. Lopez Lorenzo, L. C. Fernandez, L. Tosatto, , E. Biasini

The paper discovers non-native metastable states in protein folding pathways and develops a novel drug discovery approach, PPI-FIT, to target these intermediates to lower protein expression.

bioRxiv · Mar 31, 2020 · PreprintBiochemistry

Full Atomistic Model Of Prion Structure And Conversion

G. Spagnolli, M. Rigoli, S. Orioli, A. M. Sevillano, P. Faccioli, H. Wille, E. Biasini, J. R. Requena

The paper builds the first atomic-resolution model of mouse PrPSc using experimental data and computational methods, simulating the conversion of PrPC to PrPSc and providing a physically-coherent mechanism for prion propagation.

bioRxiv · Dec 22, 2018Biochemistry