en News - Grup de recerca CHEMINFORMATICS-NUTRITION News Wed, 22 Jul 2026 10:57:41 +0000 Wed, 22 Jul 2026 10:57:41 +0000 Houdini 2 (https://houdini.antaviana.cat/) / We have created a new web-based version of VHELIBS

A modern web port of the Validation Helper for LIgands and Binding Sites (VHELIBS) is available at https://github.com/URV-cheminformatics/VHELIBS-web/

]]> Wed, 22 Jul 2026 10:57:41 +0000 http://www.cheminformatics-nutrition.recerca.urv.cat/en/news/35/we-have-created-a-new-web-based-version-of-vhelibs http://www.cheminformatics-nutrition.recerca.urv.cat/en/news/35 0 A new article presenting a new tool (PDB-CAT) just published

Llop-Peiró A, Trujillo-De León S, Pujadas G, Garcia-Vallvé S, Gimeno A. PDB-CAT: A user-friendly tool to classify and analyze PDB protein-ligand complexes. Protein Sci. 2025 Dec;34(12):e70379. doi: 10.1002/pro.70379.

]]> Mon, 24 Nov 2025 13:19:01 +0000 http://www.cheminformatics-nutrition.recerca.urv.cat/en/news/34/a-new-article-presenting-a-new-tool-pdb-cat-just-published http://www.cheminformatics-nutrition.recerca.urv.cat/en/news/34 0 A new article published about the mutation coldspots in SARS-CoV-2 M-pro

Garcia-Segura P, Llop-Peiró A, Novau-Ferré N, Mestres-Truyol J, Saldivar-Espinoza B, Pujadas G, Garcia-Vallvé S. SARS-CoV-2 main protease (M-pro) mutational profiling: An insight into mutation coldspots. Comput Biol Med. 2024 Nov 11;184:109344. doi: 10.1016/j.compbiomed.2024.109344.

]]> Wed, 20 Nov 2024 12:43:31 +0000 http://www.cheminformatics-nutrition.recerca.urv.cat/en/news/32/a-new-article-published-about-the-mutation-coldspots-in-sars-cov-2-m-pro http://www.cheminformatics-nutrition.recerca.urv.cat/en/news/32 0 A new article of our group published at Drug Discovery Today

Llop-Peiró A, Macip G, Garcia-Vallvé S, Pujadas G. Are protein-ligand docking programs good enough to predict experimental poses of noncovalent ligands bound to the SARS-CoV-2 main protease? Drug Discov Today. 2024 Oct;29(10):104137. doi: 10.1016/j.drudis.2024.104137.

]]> Wed, 27 Nov 2024 12:49:14 +0000 http://www.cheminformatics-nutrition.recerca.urv.cat/en/news/33/a-new-article-of-our-group-published-at-drug-discovery-today http://www.cheminformatics-nutrition.recerca.urv.cat/en/news/33 0 A new PhD thesis defended in our research group Tue, 21 May 2024 15:37:50 +0000 http://www.cheminformatics-nutrition.recerca.urv.cat/en/news/31/a-new-phd-thesis-defended-in-our-research-group http://www.cheminformatics-nutrition.recerca.urv.cat/en/news/31 0