Estimation of interaction energy of some functional groups of medical substances with protein molecules in water condition
| Parent link: | Bulletin of the Tomsk Polytechnic University/ Tomsk Polytechnic University (TPU).— , 2006-2007 Vol. 309, № 4.— 2006.— [P. 93-95] |
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| Gaia: | Заглавие с титульного листа Электронная версия печатной публикации The basic energetic effects when forming organic substance complexes with protein molecules which determine thermodynamics of this process are examines using nonempirical quantum-chemical DFT method. Complex formation is considered as a replacement of water in solvated protein and organic compound molecules. Determinative role of strong hydrogen bonds and hydrophobic effect in strength of the complexes is shown. |
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2006
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| Saila: | Technical sciences |
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| Sarrera elektronikoa: | http://www.lib.tpu.ru/fulltext/v/Bulletin_TPU/2006/v309eng/i4/22.pdf |
| Formatua: | Baliabide elektronikoa Liburu kapitulua |
| KOHA link: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=180049 |
| Deskribapen fisikoa: | 1 файл (276 Кб) |
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| Gaia: | Заглавие с титульного листа Электронная версия печатной публикации The basic energetic effects when forming organic substance complexes with protein molecules which determine thermodynamics of this process are examines using nonempirical quantum-chemical DFT method. Complex formation is considered as a replacement of water in solvated protein and organic compound molecules. Determinative role of strong hydrogen bonds and hydrophobic effect in strength of the complexes is shown. |