Panagiotis I. Koukos

According to our database, Panagiotis I. Koukos authored at least 10 papers between 2013 and 2021.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2021

Shape-Restrained Modeling of Protein-Small-Molecule Complexes with High Ambiguity Driven DOCKing.

Panagiotis I. Koukos, Manon Réau, Alexandre M. J. J. Bonvin

J. Chem. Inf. Model., 2021

Structural biology in the clouds: The WeNMR-EOSC Ecosystem.

Rodrigo Vargas Honorato, Panagiotis I. Koukos, Brian Jiménez-García, Andrei Tsaregorodtsev, Marco Verlato, Andrea Giachetti, Antonio Rosato, Alexandre M. J. J. Bonvin

CoRR, 2021

MENSAdb: a thorough structural analysis of membrane protein dimers.

Pedro Matos-Filipe, António J. Preto, Panagiotis I. Koukos, Joana Mourão, Alexandre M. J. J. Bonvin, Irina S. Moreira

Database J. Biol. Databases Curation, 2021

2020

Coupling enhanced sampling of the apo-receptor with template-based ligand conformers selection: performance in pose prediction in the D3R Grand Challenge 4.

Andrea Basciu, Panagiotis I. Koukos, Giuliano Malloci, Alexandre M. J. J. Bonvin, Attilio Vittorio Vargiu

J. Comput. Aided Mol. Des., 2020

2019

Protein-ligand pose and affinity prediction: Lessons from D3R Grand Challenge 3.

Panagiotis I. Koukos, Li C. Xue, Alexandre M. J. J. Bonvin

J. Comput. Aided Mol. Des., 2019

Large-scale prediction of binding affinity in protein-small ligand complexes: the PRODIGY-LIG web server.

Anna Vangone, Jörg Schaarschmidt, Panagiotis I. Koukos, Cunliang Geng, Nevia Citro, Mikael E. Trellet, Li C. Xue, Alexandre M. J. J. Bonvin

Bioinform., 2019

PRODIGY-crystal: a web-tool for classification of biological interfaces in protein complexes.

Brian Jiménez-García, Katarina Elez, Panagiotis I. Koukos, Alexandre M. J. J. Bonvin, Anna Vangone

Bioinform., 2019

2018

Performance of HADDOCK and a simple contact-based protein-ligand binding affinity predictor in the D3R Grand Challenge 2.

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

J. Comput. Aided Mol. Des., 2018

2014

On the Application of Good-Turing Statistics to Quantify Convergence of Biomolecular Simulations.

Panagiotis I. Koukos, Nicholas M. Glykos

J. Chem. Inf. Model., 2014

2013

Grcarma: A fully automated task-oriented interface for the analysis of molecular dynamics trajectories.

Panagiotis I. Koukos, Nicholas M. Glykos

J. Comput. Chem., 2013