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Year Number of Results
2010 1
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2012 2
2013 1
2015 1
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2018 2
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2020 6
2021 8
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2023 12
2024 2

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Page 1
Computational Modeling of Realistic Cell Membranes.
Marrink SJ, Corradi V, Souza PCT, Ingólfsson HI, Tieleman DP, Sansom MSP. Marrink SJ, et al. Among authors: souza pct. Chem Rev. 2019 May 8;119(9):6184-6226. doi: 10.1021/acs.chemrev.8b00460. Epub 2019 Jan 9. Chem Rev. 2019. PMID: 30623647 Free PMC article. Review.
Pragmatic Coarse-Graining of Proteins: Models and Applications.
Borges-Araújo L, Patmanidis I, Singh AP, Santos LHS, Sieradzan AK, Vanni S, Czaplewski C, Pantano S, Shinoda W, Monticelli L, Liwo A, Marrink SJ, Souza PCT. Borges-Araújo L, et al. Among authors: souza pct. J Chem Theory Comput. 2023 Oct 24;19(20):7112-7135. doi: 10.1021/acs.jctc.3c00733. Epub 2023 Oct 3. J Chem Theory Comput. 2023. PMID: 37788237 Review.
Pitfalls of the Martini Model.
Alessandri R, Souza PCT, Thallmair S, Melo MN, de Vries AH, Marrink SJ. Alessandri R, et al. Among authors: souza pct. 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.
Towards design of drugs and delivery systems with the Martini coarse-grained model.
Kjølbye LR, Pereira GP, Bartocci A, Pannuzzo M, Albani S, Marchetto A, Jiménez-García B, Martin J, Rossetti G, Cecchini M, Wu S, Monticelli L, Souza PCT. Kjølbye LR, et al. Among authors: souza pct. QRB Discov. 2022 Oct 12;3:e19. doi: 10.1017/qrd.2022.16. eCollection 2022. QRB Discov. 2022. PMID: 37529288 Free PMC article. Review.
Martini 3 Coarse-Grained Force Field for Cholesterol.
Borges-Araújo L, Borges-Araújo AC, Ozturk TN, Ramirez-Echemendia DP, Fábián B, Carpenter TS, Thallmair S, Barnoud J, Ingólfsson HI, Hummer G, Tieleman DP, Marrink SJ, Souza PCT, Melo MN. Borges-Araújo L, et al. Among authors: souza pct. J Chem Theory Comput. 2023 Oct 24;19(20):7387-7404. doi: 10.1021/acs.jctc.3c00547. Epub 2023 Oct 5. J Chem Theory Comput. 2023. PMID: 37796943
Martini 3 Coarse-Grained Force Field for Carbohydrates.
Grünewald F, Punt MH, Jefferys EE, Vainikka PA, König M, Virtanen V, Meyer TA, Pezeshkian W, Gormley AJ, Karonen M, Sansom MSP, Souza PCT, Marrink SJ. Grünewald F, et al. Among authors: souza pct. J Chem Theory Comput. 2022 Dec 13;18(12):7555-7569. doi: 10.1021/acs.jctc.2c00757. Epub 2022 Nov 7. J Chem Theory Comput. 2022. PMID: 36342474 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. Nat Commun. 2020 Jul 24;11(1):3714. doi: 10.1038/s41467-020-17437-5. Nat Commun. 2020. PMID: 32709852 Free PMC article.
Collision Cross Section Calculations Using HPCCS.
Heerdt G, Zanotto L, Souza PCT, Araujo G, Skaf MS. Heerdt G, et al. Among authors: souza pct. Methods Mol Biol. 2020;2084:297-310. doi: 10.1007/978-1-0716-0030-6_19. Methods Mol Biol. 2020. PMID: 31729669
Identification of inhibitors targeting the energy-coupling factor (ECF) transporters.
Diamanti E, Souza PCT, Setyawati I, Bousis S, Monjas L, Swier LJYM, Shams A, Tsarenko A, Stanek WK, Jäger M, Marrink SJ, Slotboom DJ, Hirsch AKH. Diamanti E, et al. Among authors: souza pct. Commun Biol. 2023 Nov 20;6(1):1182. doi: 10.1038/s42003-023-05555-x. Commun Biol. 2023. PMID: 37985798 Free PMC article.
Expulsion mechanism of the substrate-translocating subunit in ECF transporters.
Thangaratnarajah C, Nijland M, Borges-Araújo L, Jeucken A, Rheinberger J, Marrink SJ, Souza PCT, Paulino C, Slotboom DJ. Thangaratnarajah C, et al. Among authors: souza pct. Nat Commun. 2023 Jul 25;14(1):4484. doi: 10.1038/s41467-023-40266-1. Nat Commun. 2023. PMID: 37491368 Free PMC article.
47 results