- Molecular simulations using empirical force field2003 | Faculty of Mathematics and Physics
- Development of Classical Force Fields for Interfaces between Single Molecules and Au2022 | Faculty of Mathematics and Physics
- Estimation of Transition-Metal Empirical Parameters for Molecular Mechanical Force Fields2016 | Faculty of Mathematics and Physics
- On Extension of the Current Biomolecular Empirical Force Field for the Description of Halogen Bonds2012 | Faculty of Science
- Modelling of Aniline-Vermiculite and Tetramethylammonium-Vermiculite; Test of Force Fields1999 | Faculty of Mathematics and Physics
- IR and Raman spectra, tautometric stabilities and scaled quantum mechanical force fields of protonated cytosine1996 | Faculty of Mathematics and Physics
- Scaled quantum mechanical force fields and vibrational spectra of nucleic acid constituents. 9. tetrahydrofuran1998 | Faculty of Mathematics and Physics, Central Library of Charles University
- Comparsion and scaling of Hartree-Fock and density functional harmonic force fields: 1. Formamide-monomer1994 | Publication without faculty affiliation
- Growth, electronic absorption and vibrational spectral analysis of semiorganic nonlinear optical material potassium acid phthalate: A scaled quantum mechanical force field study2013 | Faculty of Science
- Structure, Energetics and Force Fields of the Cyclic Formamide Dimer:MP2, Hartree-Fock and Density Functional Study1995 | Publication without faculty affiliation
- The IR and Raman spectra of polyaniline adsorbed on the glass surface; comparison of experimental, empirical force field, and quantum chemical results2014 | Faculty of Mathematics and Physics
- Plugging the explicit sigma-holes in molecular docking2013 | Faculty of Science
- Molecular structure, vibrational spectra and quantum mechanical force fields of modified oligonucleotide linkages: 1. Methyl methoxymethan phosphonate1997 | Faculty of Mathematics and Physics
- IR and Raman spectra, conformational flexibility and scaled quantum mechanical force fields of sodium dimethyl phosphate and dimethyl phosphate anion1996 | Faculty of Mathematics and Physics
- Modulation of Aldose Reductase Inhibition by Halogen Bond Tuning2013 | Faculty of Science
- Amino Acid Interaction (INTAA) web server2017 | Faculty of Science, Central Library of Charles University
- How herbicides like atrazine and diuron interact with the spiral halloysite structure2022 | Faculty of Mathematics and Physics
- Accurate Simulations of Lipid Monolayers Require a Water Model with Correct Surface Tension2022 | Central Library of Charles University
- Heavy Water Models for Classical Molecular Dynamics: Effective Inclusion of Nuclear Quantum Effects2021 | Central Library of Charles University
- Neutron inelastic scattering, optical spectroscopies and scaled quantum mechanical force fields for analyzing the vibrational dynamics of pyrimidine nucleic acid bases: 3. Cytosine1997 | Faculty of Mathematics and Physics
- Neutron inelastic scattering, optical spectroscopies and scaled quantum mechanical force fields for analysing the vibrational dynamics of pyrimidine nuclei acids bases: 1. uracilPublication without faculty affiliation
- Recognition of 2 ',5 '-linked oligoadenylates by human ribonuclease L: molecular dynamics study2014 | Faculty of Mathematics and Physics
- Representative Amino Acid Side-Chain Interactions in Protein-DNA Complexes: A Comparison of Highly Accurate Correlated Ab Initio Quantum Mechanical Calculations and Efficient Approaches for Applications to Large Systems2015 | Faculty of Science
- On the Association of the Base Pairs on the Silica Surface Based on Free Energy Biased Molecular Dynamics Simulation and Quantum Mechanical Calculations2013 | Faculty of Science
- Efficient Estimation of Absolute Binding Free Energy for a Homeodomain-DNA Complex from Nonequilibrium Pulling Simulations2020 | Faculty of Science, Central Library of Charles University
- Can All-Atom Molecular Dynamics Simulations Quantitatively Describe Homeodomain-DNA Binding Equilibria?2019 | Faculty of Science, Central Library of Charles University
- Accurate Prediction of Methane Adsorption in a Metal-Organic Framework with Unsaturated Metal Sites by Direct Implementation of an ab Initio Derived Potential Energy Surface in GCMC Simulation2011 | Faculty of Science
- A molecular mechanic study of some factors causing high density of nitro compounds2010 | Faculty of Mathematics and Physics
- Decision making in practise2015 | First Faculty of Medicine, Faculty of Physical Education and Sport
- Thermodynamics of Small Alkali Metal Halide Cluster Ions: Comparison of Classical Molecular Simulations with Experiment and Quantum Chemistry2015 | Faculty of Science