Ondrej Socha
Prague, PR 16000, Czech Republic
Last Updated: 09/26/2026
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Found 16 publications
Accurate and Efficient NMR Crystallography through Machine-Learning Geometry Optimization and Shielding Prediction.
Journal: The journal of physical chemistry letters
Published: July 22, 2026
NMR-Challenge for LLMs: Evaluating Chemical Reasoning in Humans and AI.
Journal: Journal of chemical information and modeling
Published: May 21, 2026
Quantitative Prediction of Exchangeable Proton Chemical Shifts.
Journal: Nature communications
Published: February 25, 2026
Beyond Deshielding: NMR Evidence of Shielding in Hydridic and Protonic Hydrogen Bonds.
Journal: Journal of chemical theory and computation
Published: July 31, 2025
Diverging errors: A comparison of DFT and machine-learning predictions of NMR shieldings.
Journal: Solid state nuclear magnetic resonance
Published: May 27, 2025
Striking Impact of Solvent Polarity on the Strength of Hydrogen-Bonded Complexes: A Nexus Between Theory and Experiment.
Journal: Angewandte Chemie (International ed. in English)
Published: November 20, 2024
Polymorphic potential of SRF binding site of c-Fos gene promoter: in vitro study.
Journal: RSC advances
Published: August 13, 2024
Double Hydrogen Bonding Dimerization Propensity of Aqueous Hydroxy Acids Investigated Using Vibrational Optical Activity.
Journal: The journal of physical chemistry. B
Published: October 06, 2021
Dimerization of Acetic Acid in the Gas Phase-NMR Experiments and Quantum-Chemical Calculations.
Journal: Molecules (Basel, Switzerland)
Published: March 31, 2020
Determination of nucleobase-pairing free energies from rotamer equilibria of 2-(methylamino)pyrimidines.
Journal: Chemical communications (Cambridge, England)
Published: August 29, 2019
Mutations at hypothetical binding site 2 in insulin and insulin-like growth factors 1 and 2 result in receptor- and hormone-specific responses.
Journal: The Journal of biological chemistry
Published: July 04, 2019
Last Updated: 09/26/2026