Tapavicza E - Search Results

1

Molecular dynamics simulation of apolipoprotein E3 lipid nanodiscs.

Allen P, Smith AC, Benedicto V, Abdulhasan A, Narayanaswami V, Tapavicza E. Allen P, et al. Among authors: tapavicza e. Biochim Biophys Acta Biomembr. 2024 Jan;1866(1):184230. doi: 10.1016/j.bbamem.2023.184230. Epub 2023 Sep 12. Biochim Biophys Acta Biomembr. 2024. PMID: 37704040 Free PMC article.

2

Mixed time-dependent density-functional theory/classical trajectory surface hopping study of oxirane photochemistry.

Tapavicza E, Tavernelli I, Rothlisberger U, Filippi C, Casida ME. Tapavicza E, et al. J Chem Phys. 2008 Sep 28;129(12):124108. doi: 10.1063/1.2978380. J Chem Phys. 2008. PMID: 19045007

3

Trajectory surface hopping within linear response time-dependent density-functional theory.

Tapavicza E, Tavernelli I, Rothlisberger U. Tapavicza E, et al. Phys Rev Lett. 2007 Jan 12;98(2):023001. doi: 10.1103/PhysRevLett.98.023001. Epub 2007 Jan 8. Phys Rev Lett. 2007. PMID: 17358601

4

Ab initio excited state properties and dynamics of a prototype sigma-bridged-donor-acceptor molecule.

Tapavicza E, Tavernelli I, Rothlisberger U. Tapavicza E, et al. J Phys Chem A. 2009 Sep 3;113(35):9595-602. doi: 10.1021/jp901356k. J Phys Chem A. 2009. PMID: 19663389

5

Weakly Bonded Complexes of Aliphatic and Aromatic Carbon Compounds Described with Dispersion Corrected Density Functional Theory.

Tapavicza E, Lin IC, von Lilienfeld OA, Tavernelli I, Coutinho-Neto MD, Rothlisberger U. Tapavicza E, et al. J Chem Theory Comput. 2007 Sep;3(5):1673-9. doi: 10.1021/ct700049s. J Chem Theory Comput. 2007. PMID: 26627613

6

The role of tachysterol in vitamin D photosynthesis - a non-adiabatic molecular dynamics study.

Cisneros C, Thompson T, Baluyot N, Smith AC, Tapavicza E. Cisneros C, et al. Among authors: tapavicza e. Phys Chem Chem Phys. 2017 Feb 22;19(8):5763-5777. doi: 10.1039/c6cp08064b. Phys Chem Chem Phys. 2017. PMID: 28105477

7

Nitrogen-Containing, Light-Absorbing Oligomers Produced in Aerosol Particles Exposed to Methylglyoxal, Photolysis, and Cloud Cycling.

De Haan DO, Tapavicza E, Riva M, Cui T, Surratt JD, Smith AC, Jordan MC, Nilakantan S, Almodovar M, Stewart TN, de Loera A, De Haan AC, Cazaunau M, Gratien A, Pangui E, Doussin JF. De Haan DO, et al. Among authors: tapavicza e. Environ Sci Technol. 2018 Apr 3;52(7):4061-4071. doi: 10.1021/acs.est.7b06105. Epub 2018 Mar 13. Environ Sci Technol. 2018. PMID: 29510022

8

Azologization and repurposing of a hetero-stilbene-based kinase inhibitor: towards the design of photoswitchable sirtuin inhibitors.

Grathwol CW, Wössner N, Swyter S, Smith AC, Tapavicza E, Hofstetter RK, Bodtke A, Jung M, Link A. Grathwol CW, et al. Among authors: tapavicza e. Beilstein J Org Chem. 2019 Sep 16;15:2170-2183. doi: 10.3762/bjoc.15.214. eCollection 2019. Beilstein J Org Chem. 2019. PMID: 31598174 Free PMC article.

9

Probing the Formation and Conformational Relaxation of Previtamin D₃ and Analogues in Solution and in Lipid Bilayers.

Sofferman DL, Konar A, Mastron JN, Spears KG, Cisneros C, Smith AC, Tapavicza E, Sension RJ. Sofferman DL, et al. Among authors: tapavicza e. J Phys Chem B. 2021 Sep 16;125(36):10085-10096. doi: 10.1021/acs.jpcb.1c04376. Epub 2021 Sep 2. J Phys Chem B. 2021. PMID: 34473504

10

Energetically unfavorable protein angles: Exploration of a conserved dihedral angle in triosephosphate isomerase.

Allen PW, Cook JA, Colquhoun AN, Sorin EJ, Tapavicza E, Schwans JP. Allen PW, et al. Among authors: tapavicza e. Biopolymers. 2022 Nov;113(11):e23525. doi: 10.1002/bip.23525. Epub 2022 Sep 15. Biopolymers. 2022. PMID: 36106525

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

31 results

Search Page

Filters