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1.
Evidence of H/D Exchange within Metal-Adducted Carbohydrates after Ion/Ion-Dissociation Reactions.
J Am Chem Soc
; 145(44): 23972-23985, 2023 11 08.
Article
in English
| MEDLINE | ID: mdl-37874934
2.
Impact of protein conformational diversity on AlphaFold predictions.
Bioinformatics
; 38(10): 2742-2748, 2022 05 13.
Article
in English
| MEDLINE | ID: mdl-35561203
3.
Impact of the core on the inter-branch exciton exchange in dendrimers.
Phys Chem Chem Phys
; 25(17): 12097-12106, 2023 May 03.
Article
in English
| MEDLINE | ID: mdl-37133823
4.
RepeatsDB in 2021: improved data and extended classification for protein tandem repeat structures.
Nucleic Acids Res
; 49(D1): D452-D457, 2021 01 08.
Article
in English
| MEDLINE | ID: mdl-33237313
5.
Analysis of changes of cavity volumes in predefined directions of protein motions and cavity flexibility.
J Comput Chem
; 43(6): 391-401, 2022 03 05.
Article
in English
| MEDLINE | ID: mdl-34962296
6.
Non-adiabatic Excited-State Molecular Dynamics: Theory and Applications for Modeling Photophysics in Extended Molecular Materials.
Chem Rev
; 120(4): 2215-2287, 2020 02 26.
Article
in English
| MEDLINE | ID: mdl-32040312
7.
Exciton-vibrational dynamics induces efficient self-trapping in a substituted nanoring.
Phys Chem Chem Phys
; 24(39): 24095-24104, 2022 Oct 12.
Article
in English
| MEDLINE | ID: mdl-36178044
8.
Vibronic Photoexcitation Dynamics of Perylene Diimide: Computational Insights.
J Phys Chem A
; 126(5): 733-741, 2022 Feb 10.
Article
in English
| MEDLINE | ID: mdl-35084863
9.
Environmental surveillance of Legionella in tourist facilities of the Balearic Islands, Spain, 2006 to 2010 and 2015 to 2018.
Euro Surveill
; 27(21)2022 05.
Article
in English
| MEDLINE | ID: mdl-35621000
10.
Excitation Energy Transfer between bodipy Dyes in a Symmetric Molecular Excitonic Seesaw.
J Phys Chem A
; 125(38): 8404-8416, 2021 Sep 30.
Article
in English
| MEDLINE | ID: mdl-34542292
11.
Integrated Nanophotonic Waveguide-Based Devices for IR and Raman Gas Spectroscopy.
Sensors (Basel)
; 21(21)2021 Oct 30.
Article
in English
| MEDLINE | ID: mdl-34770531
12.
Exploring Conformational Space with Thermal Fluctuations Obtained by Normal-Mode Analysis.
J Chem Inf Model
; 60(6): 3068-3080, 2020 06 22.
Article
in English
| MEDLINE | ID: mdl-32216314
13.
Photoexcitation dynamics in perylene diimide dimers.
J Chem Phys
; 153(24): 244117, 2020 Dec 28.
Article
in English
| MEDLINE | ID: mdl-33380092
14.
Experimental and theoretical study of energy transfer in a chromophore triad: What makes modeling dynamics successful?
J Chem Phys
; 153(24): 244114, 2020 Dec 28.
Article
in English
| MEDLINE | ID: mdl-33380074
15.
Chemical Stability of Mesoporous Oxide Thin Film Electrodes under Electrochemical Cycling: from Dissolution to Stabilization.
Langmuir
; 35(19): 6279-6287, 2019 May 14.
Article
in English
| MEDLINE | ID: mdl-30990724
16.
Network analysis of dynamically important residues in protein structures mediating ligand-binding conformational changes.
Eur Biophys J
; 48(6): 559-568, 2019 Sep.
Article
in English
| MEDLINE | ID: mdl-31273390
17.
Dynamics fingerprints of active conformers of epidermal growth factor receptor kinase.
J Comput Chem
; 39(29): 2472-2480, 2018 11 05.
Article
in English
| MEDLINE | ID: mdl-30298935
18.
Conformational diversity analysis reveals three functional mechanisms in proteins.
PLoS Comput Biol
; 13(2): e1005398, 2017 02.
Article
in English
| MEDLINE | ID: mdl-28192432
19.
An ab initio multiple cloning approach for the simulation of photoinduced dynamics in conjugated molecules.
Phys Chem Chem Phys
; 20(26): 17762-17772, 2018 Jul 04.
Article
in English
| MEDLINE | ID: mdl-29917032
20.
Pseudomonas aeruginosa EftM Is a Thermoregulated Methyltransferase.
J Biol Chem
; 291(7): 3280-90, 2016 Feb 12.
Article
in English
| MEDLINE | ID: mdl-26677219