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Pitfalls of the Martini Model.
Alessandri R, Souza PCT, Thallmair S, Melo MN, de Vries AH, Marrink SJ. Alessandri R, et al. J Chem Theory Comput. 2019 Oct 8;15(10):5448-5460. doi: 10.1021/acs.jctc.9b00473. Epub 2019 Sep 24. J Chem Theory Comput. 2019. PMID: 31498621 Free PMC article.
Protein-ligand binding with the coarse-grained Martini model.
Souza PCT, Thallmair S, Conflitti P, Ramírez-Palacios C, Alessandri R, Raniolo S, Limongelli V, Marrink SJ. Souza PCT, et al. Among authors: alessandri r. Nat Commun. 2020 Jul 24;11(1):3714. doi: 10.1038/s41467-020-17437-5. Nat Commun. 2020. PMID: 32709852 Free PMC article.
Molecular versus Excitonic Disorder in Individual Artificial Light-Harvesting Systems.
Kriete B, Bondarenko AS, Alessandri R, Patmanidis I, Krasnikov VV, Jansen TLC, Marrink SJ, Knoester J, Pshenichnikov MS. Kriete B, et al. Among authors: alessandri r. J Am Chem Soc. 2020 Oct 21;142(42):18073-18085. doi: 10.1021/jacs.0c07392. Epub 2020 Oct 9. J Am Chem Soc. 2020. PMID: 32985187 Free PMC article.
N-type organic thermoelectrics: demonstration of ZT > 0.3.
Liu J, van der Zee B, Alessandri R, Sami S, Dong J, Nugraha MI, Barker AJ, Rousseva S, Qiu L, Qiu X, Klasen N, Chiechi RC, Baran D, Caironi M, Anthopoulos TD, Portale G, Havenith RWA, Marrink SJ, Hummelen JC, Koster LJA. Liu J, et al. Among authors: alessandri r. Nat Commun. 2020 Nov 10;11(1):5694. doi: 10.1038/s41467-020-19537-8. Nat Commun. 2020. PMID: 33173050 Free PMC article.
Martini 3: a general purpose force field for coarse-grained molecular dynamics.
Souza PCT, Alessandri R, Barnoud J, Thallmair S, Faustino I, Grünewald F, Patmanidis I, Abdizadeh H, Bruininks BMH, Wassenaar TA, Kroon PC, Melcr J, Nieto V, Corradi V, Khan HM, Domański J, Javanainen M, Martinez-Seara H, Reuter N, Best RB, Vattulainen I, Monticelli L, Periole X, Tieleman DP, de Vries AH, Marrink SJ. Souza PCT, et al. Among authors: alessandri r. Nat Methods. 2021 Apr;18(4):382-388. doi: 10.1038/s41592-021-01098-3. Epub 2021 Mar 29. Nat Methods. 2021. PMID: 33782607
The Martini Model in Materials Science.
Alessandri R, Grünewald F, Marrink SJ. Alessandri R, et al. Adv Mater. 2021 Jun;33(24):e2008635. doi: 10.1002/adma.202008635. Epub 2021 May 6. Adv Mater. 2021. PMID: 33956373
63 results