Determination of Amino Acids' p K a : Importance of Cavity Scaling within Implicit Solvation Models and Choice of DFT Functionals
Protonation states of molecules significantly influence the thermodynamics and kinetics of chemical reactions. This is especially important in biochemical processes, where appropriate protonation states of amino acids control the exo/endoergicity of practically all biochemical cycles. This paper is...
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| Published in: | The journal of physical chemistry. B Vol. 128; no. 7; p. 1627 |
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| Main Authors: | , , |
| Format: | Journal Article |
| Language: | English |
| Published: |
United States
22.02.2024
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| ISSN: | 1520-5207 |
| Online Access: | Get more information |
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