Tadeáš Kalvoda

9PUBLICATIONS
21CO-AUTHORS
Theoretical quantum chemistryProteins and peptidesTheory and design of materialsAtomic and molecular physicsPyrometallurgy
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Publications (9)

|Apr 02, 2026
Machine-Learned Extrapolation of Quantum Mechanical Energies in Implicit Solvent from Short to Long Oligopeptides.

Erik Andris, Ján Michael Kormaník, Tadeáš Kalvoda

|Mar 11, 2026
Single stereocenter inversion of a cyclic tetrapeptide enables the detoxification of lead-exposed mice.

Tagwa A Mohammed, Luca Sauser, Erica Pedron

|Feb 29, 2024
Hydration numbers of biologically relevant divalent metal cations from ab initio molecular dynamics and continuum solvation methods.

Tadeáš Kalvoda, Tomas Martinek, Pavel Jungwirth

|Jan 05, 2024
What are the minimal folding seeds in proteins? Experimental and theoretical assessment of secondary structure propensities of small peptide fragments.

Zuzana Osifová, Tadeáš Kalvoda, Jakub Galgonek

|Aug 05, 2022
Exhaustive Mapping of the Conformational Space of Natural Dipeptides by the DFT-D3//COSMO-RS Method.

Tadeáš Kalvoda, Martin Culka, Lubomír Rulíšek

|May 13, 2022
Cyclic Octapeptides Composed of Two Glutathione Units Outperform the Monomer in Lead Detoxification.

Luca Sauser, Tadeáš Kalvoda, Ayça Kavas

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Frequent Collaborators

9 joint publications

Lubomír Rulíšek

4 joint publications

Michal S Shoshan

3 joint publications

Martin Culka

2 joint publications

Erik Andris