Adam Pecina
11PUBLICATIONS
35CO-AUTHORS
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Publications (11)
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|Jul 19, 2025
Comparative Analysis of Quantum-Mechanical and Standard Single-Structure Protein-Ligand Scoring Functions with MD-Based Free Energy Calculations.Mehran Jalaie, Jindřich Fanfrlík, Adam Pecina
|May 16, 2025
Multiscale Computational Protocols for Accurate Residue Interactions at the Flexible Insulin-Receptor Interface.Yevgen P Yurenko, Anja Muždalo, Michaela Černeková
|Apr 22, 2025
On-Resin Assembly of Macrocyclic Inhibitors of Cryptococcus neoformans May1: A Pathway to Potent Antifungal Agents.Robin Kryštůfek, Václav Verner, Pavel Šácha
|Feb 14, 2025
The Need for Continuing Blinded Pose- and Activity Prediction Benchmarks.Christian Kramer, John Chodera, Kelly L Damm-Ganamet
|Feb 06, 2024
SQM2.20: Semiempirical quantum-mechanical scoring function yields DFT-quality protein-ligand binding affinity predictions in minutes.Adam Pecina, Jindřich Fanfrlík, Martin Lepšík
|Sep 03, 2021
On the Metal-Aided Catalytic Mechanism for Phosphodiester Bond Cleavage Performed by Nanozymes.Adam Pecina, Daniele Rosa-Gastaldo, Laura Riccardi
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Frequent Collaborators
6 joint publications
Jindřich Fanfrlík
5 joint publications
Martin Lepšík
5 joint publications
Jan Řezáč
3 joint publications
Pavel Hobza
2 joint publications
Saltuk M Eyrilmez
2 joint publications
Cemal Köprülüoğlu
2 joint publications
Fabrizio Mancin
2 joint publications
Paolo Scrimin
2 joint publications
Marco De Vivo
2 joint publications
Laura Riccardi
