15 citations · 15 across the 1 of their papers we have counts for
3 papers
Structural biology in the clouds: The WeNMR-EOSC Ecosystem
Rodrigo Vargas Honorato, Panagiotis I. Koukos, Brian Jiménez-García +5
Structural biology aims at characterizing the structural and dynamic properties of biological macromolecules at atomic details. Gaining insight into three dimensional structures of…
Coupling enhanced sampling of the apo-receptor with template-based ligand conformers selection: Performance in pose prediction in the D3R-GC4
Andrea Basciu, Panagiotis I. Koukos, Giuliano Malloci +2
We report the performance of our newly introduced Ensemble Docking with Enhanced sampling of pocket Shape (EDES) protocol coupled to a template-based algorithm to generate near-nat…
MENSADB: A Thorough Structural Analysis of Membrane Protein Dimers
Pedro Matos-Filipe, António J. Preto, Panagiotis I. Koukos +3
Membrane Proteins (MPs) account for around 15-39% of the human proteome and assume a critical role in a vast set of cellular and physiological mechanisms, including molecular trans…