Urea parametrization for molecular dynamics simulations
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference55 articles.
1. Understanding protein folding via free-energy surfaces from theory and experiment
2. The Solubility of Amino Acids and Related Compounds in Aqueous Urea Solutions
3. Hydrophobic Interactions in Aqueous Urea Solutions with Implications for the Mechanism of Protein Denaturation
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2. Conformational comparison of urea and thiourea near the CCSD ( T ) complete basis set limit;International Journal of Quantum Chemistry;2022-12-21
3. Volumetric properties (water + 1,3-dimethylurea) mixture over the temperature range from 274.15 to 333.15 K at the ambient pressure – comparison with other methyl substituted analogues;Journal of Molecular Liquids;2021-02
4. Densities and Volumetric Properties of Aqueous Solutions of {Water (1) + N-Methylurea (2)} Mixtures at Temperatures of 274.15–333.15 K and at Pressures up to 100 MPa;Journal of Chemical & Engineering Data;2017-11-16
5. Intermolecular hydrogen bonds in urea–water complexes: DFT, NBO, and AIM analysis;Computational and Theoretical Chemistry;2015-10
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