Kaila VRI - Search Results

1

Molecular mechanism of polyketide shortening in anthraquinone biosynthesis of Photorhabdus luminescens.

Zhou Q, Bräuer A, Adihou H, Schmalhofer M, Saura P, Grammbitter GLC, Kaila VRI, Groll M, Bode HB. Zhou Q, et al. Among authors: kaila vri. Chem Sci. 2019 May 14;10(25):6341-6349. doi: 10.1039/c9sc00749k. eCollection 2019 Jul 7. Chem Sci. 2019. PMID: 31341589 Free PMC article.

2

Effective Molecular Dynamics from Neural Network-Based Structure Prediction Models.

Jussupow A, Kaila VRI. Jussupow A, et al. Among authors: kaila vri. J Chem Theory Comput. 2023 Apr 11;19(7):1965-1975. doi: 10.1021/acs.jctc.2c01027. Epub 2023 Mar 24. J Chem Theory Comput. 2023. PMID: 36961997

3

The protease GtgE from Salmonella exclusively targets inactive Rab GTPases.

Wachtel R, Bräuning B, Mader SL, Ecker F, Kaila VRI, Groll M, Itzen A. Wachtel R, et al. Among authors: kaila vri. Nat Commun. 2018 Jan 3;9(1):44. doi: 10.1038/s41467-017-02110-1. Nat Commun. 2018. PMID: 29298974 Free PMC article.

4

Catalytic mechanism and molecular engineering of quinolone biosynthesis in dioxygenase AsqJ.

Mader SL, Bräuer A, Groll M, Kaila VRI. Mader SL, et al. Among authors: kaila vri. Nat Commun. 2018 Mar 21;9(1):1168. doi: 10.1038/s41467-018-03442-2. Nat Commun. 2018. PMID: 29563492 Free PMC article.

5

How inter-subunit contacts in the membrane domain of complex I affect proton transfer energetics.

Di Luca A, Mühlbauer ME, Saura P, Kaila VRI. Di Luca A, et al. Among authors: kaila vri. Biochim Biophys Acta Bioenerg. 2018 Sep;1859(9):734-741. doi: 10.1016/j.bbabio.2018.06.001. Epub 2018 Jun 5. Biochim Biophys Acta Bioenerg. 2018. PMID: 29883589 Free PMC article.

6

Dewetting transitions coupled to K-channel activation in cytochrome c oxidase.

Supekar S, Kaila VRI. Supekar S, et al. Among authors: kaila vri. Chem Sci. 2018 Jul 9;9(32):6703-6710. doi: 10.1039/c8sc01587b. eCollection 2018 Aug 28. Chem Sci. 2018. PMID: 30310604 Free PMC article.

7

Molecular dynamics and structural models of the cyanobacterial NDH-1 complex.

Saura P, Kaila VRI. Saura P, et al. Among authors: kaila vri. Biochim Biophys Acta Bioenerg. 2019 Mar 1;1860(3):201-208. doi: 10.1016/j.bbabio.2018.11.010. Epub 2018 Nov 16. Biochim Biophys Acta Bioenerg. 2019. PMID: 30448269 Free PMC article.

8

Energetics and Dynamics of Proton-Coupled Electron Transfer in the NADH/FMN Site of Respiratory Complex I.

Saura P, Kaila VRI. Saura P, et al. Among authors: kaila vri. J Am Chem Soc. 2019 Apr 10;141(14):5710-5719. doi: 10.1021/jacs.8b11059. Epub 2019 Mar 27. J Am Chem Soc. 2019. PMID: 30873834 Free PMC article.

9

Electric field modulated redox-driven protonation and hydration energetics in energy converting enzymes.

Saura P , Frey DM , Gamiz-Hernandez AP , Kaila VRI . Saura P , et al. Among authors: kaila vri. Chem Commun (Camb). 2019 May 23;55(43):6078-6081. doi: 10.1039/c9cc01135h. Chem Commun (Camb). 2019. PMID: 31066378 Free PMC article.

10

Quantum Chemical and QM/MM Models in Biochemistry.

Saura P, Röpke M, Gamiz-Hernandez AP, Kaila VRI. Saura P, et al. Among authors: kaila vri. Methods Mol Biol. 2019;2022:75-104. doi: 10.1007/978-1-4939-9608-7_4. Methods Mol Biol. 2019. PMID: 31396900

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