Cipcigan F - Search Results

1

Accelerated antimicrobial discovery via deep generative models and molecular dynamics simulations.

Das P, Sercu T, Wadhawan K, Padhi I, Gehrmann S, Cipcigan F, Chenthamarakshan V, Strobelt H, Dos Santos C, Chen PY, Yang YY, Tan JPK, Hedrick J, Crain J, Mojsilovic A. Das P, et al. Among authors: cipcigan f. Nat Biomed Eng. 2021 Jun;5(6):613-623. doi: 10.1038/s41551-021-00689-x. Epub 2021 Mar 11. Nat Biomed Eng. 2021. PMID: 33707779

2

Hydrogen bonding and molecular orientation at the liquid-vapour interface of water.

Cipcigan FS, Sokhan VP, Jones AP, Crain J, Martyna GJ. Cipcigan FS, et al. Phys Chem Chem Phys. 2015 Apr 14;17(14):8660-9. doi: 10.1039/c4cp05506c. Epub 2015 Feb 26. Phys Chem Chem Phys. 2015. PMID: 25715668 Free article.

3

Signature properties of water: Their molecular electronic origins.

Sokhan VP, Jones AP, Cipcigan FS, Crain J, Martyna GJ. Sokhan VP, et al. Among authors: cipcigan fs. Proc Natl Acad Sci U S A. 2015 May 19;112(20):6341-6. doi: 10.1073/pnas.1418982112. Epub 2015 May 4. Proc Natl Acad Sci U S A. 2015. PMID: 25941394 Free PMC article.

4

Molecular-scale remnants of the liquid-gas transition in supercritical polar fluids.

Sokhan VP, Jones A, Cipcigan FS, Crain J, Martyna GJ. Sokhan VP, et al. Among authors: cipcigan fs. Phys Rev Lett. 2015 Sep 11;115(11):117801. doi: 10.1103/PhysRevLett.115.117801. Epub 2015 Sep 11. Phys Rev Lett. 2015. PMID: 26406855 Free article.

5

Structure and hydrogen bonding at the limits of liquid water stability.

Cipcigan F, Sokhan V, Martyna G, Crain J. Cipcigan F, et al. Sci Rep. 2018 Jan 29;8(1):1718. doi: 10.1038/s41598-017-18975-7. Sci Rep. 2018. PMID: 29379039 Free PMC article.

6

Accelerating molecular discovery through data and physical sciences: Applications to peptide-membrane interactions.

Cipcigan F, Carrieri AP, Pyzer-Knapp EO, Krishna R, Hsiao YW, Winn M, Ryadnov MG, Edge C, Martyna G, Crain J. Cipcigan F, et al. J Chem Phys. 2018 Jun 28;148(24):241744. doi: 10.1063/1.5027261. J Chem Phys. 2018. PMID: 29960328

7

Membrane Permeability in Cyclic Peptides is Modulated by Core Conformations.

Cipcigan F, Smith P, Crain J, Hogner A, De Maria L, Llinas A, Ratkova E. Cipcigan F, et al. J Chem Inf Model. 2021 Jan 25;61(1):263-269. doi: 10.1021/acs.jcim.0c00803. Epub 2020 Dec 22. J Chem Inf Model. 2021. PMID: 33350828

8

Membrane Binding of Antimicrobial Peptides Is Modulated by Lipid Charge Modification.

Simcock PW, Bublitz M, Cipcigan F, Ryadnov MG, Crain J, Stansfeld PJ, Sansom MSP. Simcock PW, et al. Among authors: cipcigan f. J Chem Theory Comput. 2021 Feb 9;17(2):1218-1228. doi: 10.1021/acs.jctc.0c01025. Epub 2021 Jan 4. J Chem Theory Comput. 2021. PMID: 33395285

9

Switching Cytolytic Nanopores into Antimicrobial Fractal Ruptures by a Single Side Chain Mutation.

Hammond K, Cipcigan F, Al Nahas K, Losasso V, Lewis H, Cama J, Martelli F, Simcock PW, Fletcher M, Ravi J, Stansfeld PJ, Pagliara S, Hoogenboom BW, Keyser UF, Sansom MSP, Crain J, Ryadnov MG. Hammond K, et al. Among authors: cipcigan f. ACS Nano. 2021 Jun 22;15(6):9679-9689. doi: 10.1021/acsnano.1c00218. Epub 2021 Apr 22. ACS Nano. 2021. PMID: 33885289 Free PMC article.

10

Author Correction: Accelerated antimicrobial discovery via deep generative models and molecular dynamics simulations.

Das P, Sercu T, Wadhawan K, Padhi I, Gehrmann S, Cipcigan F, Chenthamarakshan V, Strobelt H, Dos Santos C, Chen PY, Yang YY, Tan JPK, Hedrick J, Crain J, Mojsilovic A. Das P, et al. Among authors: cipcigan f. Nat Biomed Eng. 2021 Aug;5(8):942. doi: 10.1038/s41551-021-00771-4. Nat Biomed Eng. 2021. PMID: 34183803 No abstract available.

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