Integrating Computational Virology into a First-Year Research Course - ASV 2026

Thursday, July 20^th

3:30-5:00 PM

North and South Gyms

Computational Virology Subsession

Poster ASV 2026.pdf

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References:

SWISS-Model (Site) (Paper)

Waterhouse A, Bertoni M, Bienert S, Studer G, Tauriello G, Gumienny R, Heer FT, de Beer TAP, Rempfer C, Bordoli L, Lepore R, Schwede T. SWISS-MODEL: homology modelling of protein structures and complexes. Nucleic Acids Res. 2018 Jul 2;46(W1):W296-W303. doi: 10.1093/nar/gky427. PMID: 29788355; PMCID: PMC6030848.

CASTpFold (Site) (Paper)

Ye B, Tian W, Wang B, Liang J. CASTpFold: Computed Atlas of Surface Topography of the universe of protein Folds. Nucleic Acids Res. 2024 Jul 5;52(W1):W194-W199. doi: 10.1093/nar/gkae415. PMID: 38783102; PMCID: PMC11223844.

MTiOpenScreen (Site) (Paper)

Labbé CM, Rey J, Lagorce D, Vavruša M, Becot J, Sperandio O, Villoutreix BO, Tufféry P, Miteva MA. MTiOpenScreen: a web server for structure-based virtual screening. Nucleic Acids Res. 2015 Jul 1;43(W1):W448-54. doi: 10.1093/nar/gkv306. Epub 2015 Apr 8. PMID: 25855812; PMCID: PMC4489289.

SwissDock (Site) (Paper)

Bugnon M, Röhrig UF, Goullieux M, Perez MAS, Daina A, Michielin O, Zoete V. SwissDock 2024: major enhancements for small-molecule docking with Attracting Cavities and AutoDock Vina. Nucleic Acids Res. 2024 Jul 5;52(W1):W324-W332. doi: 10.1093/nar/gkae300. PMID: 38686803; PMCID: PMC11223881.

SwissADME (Site) (Paper)

Daina A, Michielin O, Zoete V. SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules. Sci Rep. 2017 Mar 3;7:42717. doi: 10.1038/srep42717. PMID: 28256516; PMCID: PMC5335600.

Ketcher (Site) (Paper)

Karulin B, Kozhevnikov M. Ketcher: web-based chemical structure editor. J Cheminform. 2011 Apr 19;3(Suppl 1):P3. doi: 10.1186/1758-2946-3-S1-P3. PMCID: PMC3083585.