Апроксимація електростатичного потенціалу молекули точковими зарядами, що імітують її електронні пари
The electrostatic component used in the traditional force fields significantly impacts their accuracy in modelling the noncovalent interactions peculiar to biomolecular systems, including hydrogen bonding. In this contribution, we present a physical model for approximating the electrostatic potentia...
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| Date: | 2023 |
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| Main Authors: | , |
| Format: | Article |
| Language: | English |
| Published: |
Publishing house "Academperiodika"
2023
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| Subjects: | |
| Online Access: | https://ujp.bitp.kiev.ua/index.php/ujp/article/view/2023177 |
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| Journal Title: | Ukrainian Journal of Physics |