Rafał Kurczab

Theoretical Analysis of the Resonance Assisted Hydrogen Bond Based on the Combined Extended Transition State Method and Natural Orbitals for Chemical Valence Scheme^†

Rafał Kurczab, Mariusz P. Mitoraj, Artur Michalak et al. · The Journal of Physical Chemistry A · 2010 · 103 citations · Full text

Theoretical Analysis, Chemical Engineering, Engineering +15

Salt Bridge in Ligand–Protein Complexes—Systematic Theoretical and Statistical Investigations

Rafał Kurczab, Paweł Śliwa, Krzysztof Rataj et al. · Journal of Chemical Information and Modeling · 2018 · 96 citations

The influence of negative training set size on machine learning-based virtual screening

Rafał Kurczab, Sabina Smusz, Andrzej J. Bojarski · Journal of Cheminformatics · 2014 · 80 citations · Full text

Hydrogen Bonds with Fluorine in Ligand–Protein Complexes-the PDB Analysis and Energy Calculations

Wojciech Pietruś, Rafał Kafel, Andrzej J. Bojarski et al. · Molecules · 2022 · 44 citations · Full text

Biochemistry, Medicine, Hydrogen Bonds +14

The multiobjective based design, synthesis and evaluation of the arylsulfonamide/amide derivatives of aryloxyethyl- and arylthioethyl- piperidines and pyrrolidines as a novel class of potent 5-HT7 receptor antagonists

Paweł Zajdel, Rafał Kurczab, Katarzyna Grychowska et al. · European Journal of Medicinal Chemistry · 2012 · 41 citations · Full text

Combinatorial Chemistry, Medicinal Chemistry, Derivative (Chemistry) +9