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free-energy
Publication
Class
Person
Publication
Programmes
publication
Decomposition of the solvation free energies of deoxyribonucleoside triphosphates using the free energy perturbation method
2006 |
Faculty of Science
publication
Surface Free Energy Determination by Contact Angle Measurements - A Comparison of Various Approaches
2010 |
Faculty of Mathematics and Physics
publication
Gibbs free energy based representation formula within the context of implicit constitutive relations for elastic solids
2020 |
Faculty of Mathematics and Physics
publication
Accuracy and precision of binding free energy prediction for a tacrine related lead inhibitor of acetylcholinesterase with an arsenal of supercomputerized molecular modelling methods: a comparative study
2022 |
Publication without faculty affiliation
publication
Molecular dynamics simulation and binding free energy studies of novel leads belonging to the benzofuran class inhibitors of Mycobacterium tuberculosis Polyketide Synthase 13
2019 |
Publication without faculty affiliation
publication
Do all pieces make a whole? Thiele cumulants and the free energy decomposition
2007 |
Publication without faculty affiliation
publication
Nonlinear Elastic Free Energies and Gradient Young-Gibbs Measures
2014 |
Publication without faculty affiliation
publication
Free Energy Differences from Molecular Simulations: Exact Confidence Intervals from Transition Counts
2023 |
Faculty of Mathematics and Physics
publication
Efficient Estimation of Absolute Binding Free Energy for a Homeodomain-DNA Complex from Nonequilibrium Pulling Simulations
2020 |
Faculty of Science, Central Library of Charles University
publication
Comparative study of three teicoplanin-based chiral stationary phases using the linear free energy relationship model
2005 |
Faculty of Science
publication
Characterization of cyclofructan-based chiral stationary phases by linear free energy relationship
2011 |
Faculty of Science
publication
Linear free energy relationship as a tool for characterization of three teicoplanin-based chiral stationary phases under various mobile phase compositions
2006 |
Faculty of Science
publication
Surface anchored Ag nanoparticles prepared by gas aggregation source: Antibacterial effect and the role of surface free energy
2022 |
Faculty of Mathematics and Physics
publication
Free energy simulations of uncatalyzed DNA replication fidelity: Structure and stability of T.G and dTTP.G terminal DNA mismatches flanked by a single dangling nucleotide
2006 |
Faculty of Science
publication
Implicit Type Constitutive Relations for Elastic Solids and Their Use in the Development of Mathematical Models for Viscoelastic Fluids
2021 |
Faculty of Mathematics and Physics
publication
On the Association of the Base Pairs on the Silica Surface Based on Free Energy Biased Molecular Dynamics Simulation and Quantum Mechanical Calculations
2013 |
Faculty of Science
publication
Assessing the Accuracy and Performance of Implicit Solvent Models for Drug Molecules: Conformational Ensemble Approaches
2013 |
Faculty of Science
publication
Characterisation of electrokinetic separation systems with newly synthetized charged linear polymers as pseudostationary phases by linear free energy relationship
2001 |
Faculty of Science
publication
Characterisation of electrokinetic separation systems with newly synthetized charged linear polymers as pseudostationary phases by linear free energy relationship
2001 |
Faculty of Mathematics and Physics, First Faculty of Medicine
publication
The "good," the "bad," and the "hidden" in neutron scattering and molecular dynamics of ionic aqueous solutions
2022 |
Central Library of Charles University
publication
Study of interaction mechanisms on zirconia-based polystyrene HPLC column
2010 |
Faculty of Science
publication
Computations on Metallofullerenes Derivatized during Extraction: La@ C-80- C6H3Cl2 and La@C-82-C6H3Cl2
2014 |
Faculty of Science
publication
Effect of Buffer Constituents on Retention and Separation in Achiral and Chiral HPLC Systems with β-Cyclodextrin-Based Stationary Phase
2015 |
Faculty of Science
publication
Solvent-controlled formation of alkali and alkali-earth-secured cucurbituril/guest trimers
2023 |
Faculty of Science, Central Library of Charles University
publication
The effect of particle and ligand types on retention and peak shape in liquid chromatography
2020 |
Faculty of Science
publication
Evaluation of separation properties of stationary phases in supercritical fluid chromatography; deazapurine nucleosides case study
2019 |
Faculty of Science
publication
A new grand-canonical potential for the thermodynamic description of the reactions in solutions with constant pH
2021 |
Faculty of Mathematics and Physics, Central Library of Charles University
publication
An insight into the use of dimethylphenyl carbamate cyclofructan 7 chiral stationary phase in supercritical fluid chromatography: The basic comparison with HPLC
2013 |
Faculty of Science
publication
Unfolding kinetics of periodic DNA hairpins
2014 |
Faculty of Mathematics and Physics
publication
Can All-Atom Molecular Dynamics Simulations Quantitatively Describe Homeodomain-DNA Binding Equilibria?
2019 |
Faculty of Science, Central Library of Charles University