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Inorganic Chemistry|September 5, 2013
Predicting the stability constants of metal-ion complexes from first principlesOndrej Gutten, Lubomír RulíšekPhysical Chemistry Chemical Physics : PCCP|March 19, 2015
How simple is too simple? Computational perspective on importance of second-shell environment for metal-ion selectivityOndrej Gutten, Lubomír RulíšekThe Journal of Physical Chemistry. A|September 6, 2011
Interaction of metal ions with biomolecular ligands: how accurate are calculated free energies associated with metal ion complexation?Ondrej Gutten, Ivana Beššeová, Lubomír RulíšekJournal of Chemical Information and Modeling|November 29, 2017
Macrocycle Conformational Sampling by DFT-D3/COSMO-RS MethodologyOndrej Gutten, Daniel Bím, Jan Řezáč, et al.Journal of Chemical Theory and Computation|February 21, 2018
Toward Accurate Conformational Energies of Smaller Peptides and Medium-Sized Macrocycles: MPCONF196 Benchmark Energy Data SetJan Řezáč, Daniel Bím, Ondrej Gutten, et al.The Journal of Physical Chemistry. B|January 4, 2021
Mapping Conformational Space of All 8000 Tripeptides by Quantum Chemical Methods: What Strain Is Affordable within Folded Protein Chains?Martin Culka, Tadeáš Kalvoda, Ondrej Gutten, et al.Physical Chemistry Chemical Physics : PCCP|April 20, 2021
Conformational energies and equilibria of cyclic dinucleotides in vacuo and in solution: computational chemistry vs. NMR experimentsOndrej Gutten, Petr Jurečka, Zahra Aliakbar Tehrani, et al.Electrophoresis|December 7, 2023
Acidity constants and protonation sites of cyclic dinucleotides determined by capillary electrophoresis, quantum chemical calculations, and NMR spectroscopySille Štěpánová, Erik Andris, Ondrej Gutten, et al.Inorganic Chemistry|December 1, 2015
Cyclam Derivatives with a Bis(phosphinate) or a Phosphinato-Phosphonate Pendant Arm: Ligands for Fast and Efficient Copper(II) Complexation for Nuclear Medical ApplicationsTomáš David, Vojtěch Kubíček, Ondrej Gutten, et al.The Journal of Physical Chemistry. B|January 3, 2022
Predicting Effects of Site-Directed Mutagenesis on Enzyme Kinetics by QM/MM and QM Calculations: A Case of Glutamate Carboxypeptidase IIDaniel Bím, Michal Navrátil, Ondrej Gutten, et al.Pageof 2