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Results by year

Table representation of search results timeline featuring number of search results per year.

Year Number of Results
2016 2
2017 26
2018 30
2019 23
2020 23
2021 11
2022 13
2023 5
2024 4
2025 10
2026 4

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Cited In for PMID: 27696240

120 results

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Page 1
D3R grand challenge 2015: Evaluation of protein-ligand pose and affinity predictions.
Gathiaka S, Liu S, Chiu M, Yang H, Stuckey JA, Kang YN, Delproposto J, Kubish G, Dunbar JB Jr, Carlson HA, Burley SK, Walters WP, Amaro RE, Feher VA, Gilson MK. Gathiaka S, et al. J Comput Aided Mol Des. 2016 Sep;30(9):651-668. doi: 10.1007/s10822-016-9946-8. Epub 2016 Sep 30. J Comput Aided Mol Des. 2016. PMID: 27696240 Free PMC article.
Evaluating generalization in protein-ligand cofolding methods.
Škrinjar P, Eberhardt J, Studer G, Tauriello G, Schwede T, Durairaj J. Škrinjar P, et al. Nat Struct Mol Biol. 2026 May;33(5):782-794. doi: 10.1038/s41594-026-01797-5. Epub 2026 May 8. Nat Struct Mol Biol. 2026. PMID: 42103936
Large scale prospective evaluation of co-folding across 557 Mac1-ligand complexes and three virtual screens.
Kim J, Correy GJ, Hall BW, Rachman MM, Mailhot O, Togo T, Gonciarz RL, Jaishankar P, Neitz RJ, Hantz ER, Doruk YU, Stevens MGV, Diolaiti ME, Reid R, Gopalkrishnan S, Krogan NJ, Renslo AR, Ashworth A, Shoichet BK, Fraser JS. Kim J, et al. bioRxiv [Preprint]. 2025 Dec 29:2025.12.25.696505. doi: 10.64898/2025.12.25.696505. bioRxiv. 2025. PMID: 41509292 Free PMC article. Preprint.
CACHE Challenge #2: Targeting the RNA Site of the SARS-CoV-2 Helicase Nsp13.
Herasymenko O, Silva M, Abu-Saleh AAA, Ahmad A, Alvarado-Huayhuaz J, Arce OEA, Armstrong RJ, Arrowsmith C, Bachta KE, Beck H, Berta D, Bieniek MK, Blay V, Bolotokova A, Bourne PE, Breznik M, Brown PJ, Campbell ADG, Carosati E, Chau I, Cole DJ, Cree B, Dehaen W, Denzinger K, Dos Santos Machado K, Dunn I, Durai P, Edfeldt K, Edwards A, Fayne D, Felfoldi D, Friston K, Ghiabi P, Gibson E, Günther J, Gunnarsson A, Hillisch A, Houston DR, Jensen JH, Harding RJ, Harris KS, Hoffer L, Hogner A, Horton JT, Houliston S, Hultquist JF, Hutchinson A, Irwin JJ, Jukič M, Kandwal S, Karlova A, Katis VL, Kich RP, Kireev D, Koes D, Inniss NL, Lessel U, Liu S, Loppnau P, Lu W, Martino S, McGibbon M, Meiler J, Mettu A, Money-Kyrle S, Moretti R, Moroz YS, Muvva C, Newman JA, Obendorf L, Paige B, Pandit A, Park K, Perveen S, Pirie R, Poda G, Protopopov M, Pütter V, Ricci F, Roper NJ, Rosta E, Rzhetskaya M, Sabnis Y, Satchell KJF, Schmitt Kremer F, Scott T, Seitova A, Steinmann C, Talagayev V, Tarkhanova OO, Tatum NJ, Treleaven D, Velasque Werhli A, Walters WP, Wang X, Wells J, Wells G, Westermaier Y, Wolber G, Wortmann L, Zhang J, Zhao Z, Zheng S, Schapira M. Herasymenko O, et al. J Chem Inf Model. 2025 Jul 14;65(13):6884-6898. doi: 10.1021/acs.jcim.5c00535. Epub 2025 Jun 20. J Chem Inf Model. 2025. PMID: 40539604 Free PMC article.
The Need for Continuing Blinded Pose- and Activity Prediction Benchmarks.
Kramer C, Chodera J, Damm-Ganamet KL, Gilson MK, Günther J, Lessel U, Lewis RA, Mobley D, Nittinger E, Pecina A, Schapira M, Walters WP. Kramer C, et al. J Chem Inf Model. 2025 Mar 10;65(5):2180-2190. doi: 10.1021/acs.jcim.4c02296. Epub 2025 Feb 14. J Chem Inf Model. 2025. PMID: 39951479 Free PMC article. Review.
120 results