Panagiotis I. Koukos

Publication Activity (10 Years)

Years Active: 2013-2021
Publications (10 Years): 8

Top Topics

Grand Challenge

Structural Analysis

Autonomous Driving

Protein Complexes

Top Venues

J. Comput. Aided Mol. Des.

J. Chem. Inf. Model.

Publications

Rodrigo Vargas Honorato, Panagiotis I. Koukos, Brian Jiménez-García, Andrei Tsaregorodtsev, Marco Verlato, Andrea Giachetti, Antonio Rosato, Alexandre M. J. J. Bonvin
Structural biology in the clouds: The WeNMR-EOSC Ecosystem. CoRR (2021)
Panagiotis I. Koukos, Manon Réau, Alexandre M. J. J. Bonvin
Shape-Restrained Modeling of Protein-Small-Molecule Complexes with High Ambiguity Driven DOCKing. J. Chem. Inf. Model. 61 (9) (2021)
Pedro Matos-Filipe, António J. Preto, Panagiotis I. Koukos, Joana Mourão, Alexandre M. J. J. Bonvin, Irina S. Moreira
MENSAdb: a thorough structural analysis of membrane protein dimers. Database J. Biol. Databases Curation 2021 (2021)
Andrea Basciu, Panagiotis I. Koukos, Giuliano Malloci, Alexandre M. J. J. Bonvin, Attilio Vittorio Vargiu
Coupling enhanced sampling of the apo-receptor with template-based ligand conformers selection: performance in pose prediction in the D3R Grand Challenge 4. J. Comput. Aided Mol. Des. 34 (2) (2020)
Brian Jiménez-García, Katarina Elez, Panagiotis I. Koukos, Alexandre M. J. J. Bonvin, Anna Vangone
PRODIGY-crystal: a web-tool for classification of biological interfaces in protein complexes. Bioinform. 35 (22) (2019)
Anna Vangone, Jörg Schaarschmidt, Panagiotis I. Koukos, Cunliang Geng, Nevia Citro, Mikael E. Trellet, Li C. Xue, Alexandre M. J. J. Bonvin
Large-scale prediction of binding affinity in protein-small ligand complexes: the PRODIGY-LIG web server. Bioinform. 35 (9) (2019)
Panagiotis I. Koukos, Li C. Xue, Alexandre M. J. J. Bonvin
Protein-ligand pose and affinity prediction: Lessons from D3R Grand Challenge 3. J. Comput. Aided Mol. Des. 33 (1) (2019)
Zeynep Kurkcuoglu, Panagiotis I. Koukos, Nevia Citro, Mikael E. Trellet, João P. G. L. M. Rodrigues, Irina S. Moreira, Jorge Roel-Touris, Adrien S. J. Melquiond, Cunliang Geng, Jörg Schaarschmidt, Li C. Xue, Anna Vangone, Alexandre M. J. J. Bonvin
Performance of HADDOCK and a simple contact-based protein-ligand binding affinity predictor in the D3R Grand Challenge 2. J. Comput. Aided Mol. Des. 32 (1) (2018)
Panagiotis I. Koukos, Nicholas M. Glykos
On the Application of Good-Turing Statistics to Quantify Convergence of Biomolecular Simulations. J. Chem. Inf. Model. 54 (1) (2014)
Panagiotis I. Koukos, Nicholas M. Glykos
Grcarma: A fully automated task-oriented interface for the analysis of molecular dynamics trajectories. J. Comput. Chem. 34 (26) (2013)