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The use of one-bead one-compound combinatorial library technology to discover high-affinity αvβ3 integrin and cancer targeting arginine-glycine-aspartic acid ligands with a built-in handle.
Xiao W, Wang Y, Lau EY, Luo J, Yao N, Shi C, Meza L, Tseng H, Maeda Y, Kumaresan P, Liu R, Lightstone FC, Takada Y, Lam KS. Xiao W, et al. Among authors: lightstone fc. Mol Cancer Ther. 2010 Oct;9(10):2714-23. doi: 10.1158/1535-7163.MCT-10-0308. Epub 2010 Sep 21. Mol Cancer Ther. 2010. PMID: 20858725 Free PMC article.
Membrane lipids drive formation of KRAS4b-RAF1 RBDCRD nanoclusters on the membrane.
Shrestha R, Carpenter TS, Van QN, Agamasu C, Tonelli M, Aydin F, Chen D, Gulten G, Glosli JN, López CA, Oppelstrup T, Neale C, Gnanakaran S, Gillette WK, Ingólfsson HI, Lightstone FC, Stephen AG, Streitz FH, Nissley DV, Turbyville TJ. Shrestha R, et al. Among authors: lightstone fc. Commun Biol. 2024 Feb 28;7(1):242. doi: 10.1038/s42003-024-05916-0. Commun Biol. 2024. PMID: 38418613 Free PMC article.
The confluence of machine learning and multiscale simulations.
Bhatia H, Aydin F, Carpenter TS, Lightstone FC, Bremer PT, Ingólfsson HI, Nissley DV, Streitz FH. Bhatia H, et al. Among authors: lightstone fc. Curr Opin Struct Biol. 2023 Jun;80:102569. doi: 10.1016/j.sbi.2023.102569. Epub 2023 Mar 24. Curr Opin Struct Biol. 2023. PMID: 36966691 Review.
OFraMP: a fragment-based tool to facilitate the parametrization of large molecules.
Stroet M, Caron B, Engler MS, van der Woning J, Kauffmann A, van Dijk M, El-Kebir M, Visscher KM, Holownia J, Macfarlane C, Bennion BJ, Gelpi-Dominguez S, Lightstone FC, van der Storm T, Geerke DP, Mark AE, Klau GW. Stroet M, et al. Among authors: lightstone fc. J Comput Aided Mol Des. 2023 Aug;37(8):357-371. doi: 10.1007/s10822-023-00511-7. Epub 2023 Jun 13. J Comput Aided Mol Des. 2023. PMID: 37310542 Free PMC article.
Deep generative molecular design reshapes drug discovery.
Zeng X, Wang F, Luo Y, Kang SG, Tang J, Lightstone FC, Fang EF, Cornell W, Nussinov R, Cheng F. Zeng X, et al. Among authors: lightstone fc. Cell Rep Med. 2022 Dec 20;3(12):100794. doi: 10.1016/j.xcrm.2022.100794. Epub 2022 Oct 27. Cell Rep Med. 2022. PMID: 36306797 Free PMC article. Review.
Machine Learning-Driven Multiscale Modeling: Bridging the Scales with a Next-Generation Simulation Infrastructure.
Ingólfsson HI, Bhatia H, Aydin F, Oppelstrup T, López CA, Stanton LG, Carpenter TS, Wong S, Di Natale F, Zhang X, Moon JY, Stanley CB, Chavez JR, Nguyen K, Dharuman G, Burns V, Shrestha R, Goswami D, Gulten G, Van QN, Ramanathan A, Van Essen B, Hengartner NW, Stephen AG, Turbyville T, Bremer PT, Gnanakaran S, Glosli JN, Lightstone FC, Nissley DV, Streitz FH. Ingólfsson HI, et al. Among authors: lightstone fc. J Chem Theory Comput. 2023 May 9;19(9):2658-2675. doi: 10.1021/acs.jctc.2c01018. Epub 2023 Apr 19. J Chem Theory Comput. 2023. PMID: 37075065 Free PMC article.
Clustering Protein Binding Pockets and Identifying Potential Drug Interactions: A Novel Ligand-Based Featurization Method.
Stevenson GA, Kirshner D, Bennion BJ, Yang Y, Zhang X, Zemla A, Torres MW, Epstein A, Jones D, Kim H, Bennett WFD, Wong SE, Allen JE, Lightstone FC. Stevenson GA, et al. Among authors: lightstone fc. J Chem Inf Model. 2023 Nov 13;63(21):6655-6666. doi: 10.1021/acs.jcim.3c00722. Epub 2023 Oct 17. J Chem Inf Model. 2023. PMID: 37847557 Free PMC article.
92 results