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<article xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:ali="http://www.niso.org/schemas/ali/1.0/" article-type="other" dtd-version="1.2" xml:lang="en"><front><journal-meta><journal-id journal-id-type="publisher-id">Discrete and Continuous Models and Applied Computational Science</journal-id><journal-title-group><journal-title xml:lang="en">Discrete and Continuous Models and Applied Computational Science</journal-title><trans-title-group xml:lang="ru"><trans-title>Discrete and Continuous Models and Applied Computational Science</trans-title></trans-title-group></journal-title-group><issn publication-format="print">2658-4670</issn><issn publication-format="electronic">2658-7149</issn><publisher><publisher-name xml:lang="en">Peoples' Friendship University of Russia named after Patrice Lumumba (RUDN University)</publisher-name></publisher></journal-meta><article-meta><article-id pub-id-type="publisher-id">8294</article-id><article-categories><subj-group subj-group-type="toc-heading" xml:lang="en"><subject>Articles</subject></subj-group><subj-group subj-group-type="toc-heading" xml:lang="ru"><subject>Статьи</subject></subj-group><subj-group subj-group-type="article-type"><subject></subject></subj-group></article-categories><title-group><article-title xml:lang="en">Identiﬁcation of Internal Points of Macromolecular System for the Deﬁnition of the Parameters of a Poisson-Boltzmann Equation</article-title><trans-title-group xml:lang="ru"><trans-title>Идентификация внутренних точек макромолекулярных систем для установления параметров уравнения Пуассона-Больцмана</trans-title></trans-title-group></title-group><contrib-group><contrib contrib-type="author"><name-alternatives><name xml:lang="en"><surname>Bŭsa</surname><given-names>J</given-names></name><name xml:lang="ru"><surname>Буша</surname><given-names>Ян</given-names></name></name-alternatives><bio xml:lang="en">Technical University in Koˇsice</bio><bio xml:lang="ru">Технический университет Кошице</bio><email>jan.busa@tuke.sk</email><xref ref-type="aff" rid="aff1"/></contrib><contrib contrib-type="author"><name-alternatives><name xml:lang="en"><surname>Pokorn̏y</surname><given-names>I</given-names></name><name xml:lang="ru"><surname>Покорны</surname><given-names>Имрих</given-names></name></name-alternatives><bio xml:lang="en">Technical University in Koˇsice</bio><bio xml:lang="ru">* Технический университет Кошице</bio><email>imrich.pokorny@tuke.sk</email><xref ref-type="aff" rid="aff2"/></contrib><contrib contrib-type="author"><name-alternatives><name xml:lang="en"><surname>Hayryan</surname><given-names>E A</given-names></name><name xml:lang="ru"><surname>Айрян</surname><given-names>Эдик Арташович</given-names></name></name-alternatives><bio xml:lang="en"> ; Joint Institute for Nuclear Research</bio><bio xml:lang="ru">Лаборатория информационных технологий; Объединённый институт ядерных исследований</bio><email>ayrjan@jinr.ru</email><xref ref-type="aff" rid="aff3"/></contrib><contrib contrib-type="author"><name-alternatives><name xml:lang="en"><surname>Sk̆riv̏anek</surname><given-names>J</given-names></name><name xml:lang="ru"><surname>Скрживанек</surname><given-names>Ярослав</given-names></name></name-alternatives><bio>SORS Research</bio><email>skrivanek@sors.com</email><xref ref-type="aff" rid="aff4"/></contrib></contrib-group><aff-alternatives id="aff1"><aff><institution xml:lang="en">Technical University in Koˇsice</institution></aff><aff><institution xml:lang="ru">Технический университет Кошице</institution></aff></aff-alternatives><aff-alternatives id="aff2"><aff><institution xml:lang="en">Technical University in Koˇsice</institution></aff><aff><institution xml:lang="ru">* Технический университет Кошице</institution></aff></aff-alternatives><aff-alternatives id="aff3"><aff><institution xml:lang="en">Joint Institute for Nuclear Research</institution></aff><aff><institution xml:lang="ru">Объединённый институт ядерных исследований</institution></aff></aff-alternatives><aff id="aff4"><institution>SORS Research</institution></aff><pub-date date-type="pub" iso-8601-date="2010-02-02" publication-format="electronic"><day>02</day><month>02</month><year>2010</year></pub-date><issue>2.2</issue><issue-title xml:lang="en">NO2.2 (2010)</issue-title><issue-title xml:lang="ru">№2.2 (2010)</issue-title><fpage>70</fpage><lpage>75</lpage><history><date date-type="received" iso-8601-date="2016-09-08"><day>08</day><month>09</month><year>2016</year></date></history><permissions><copyright-statement xml:lang="ru">Copyright ©; 2010, Буша Я., Покорны И., Айрян Э.А., Скрживанек Я.</copyright-statement><copyright-year>2010</copyright-year><copyright-holder xml:lang="ru">Буша Я., Покорны И., Айрян Э.А., Скрживанек Я.</copyright-holder><ali:free_to_read xmlns:ali="http://www.niso.org/schemas/ali/1.0/"/><license><ali:license_ref xmlns:ali="http://www.niso.org/schemas/ali/1.0/">http://creativecommons.org/licenses/by/4.0</ali:license_ref></license></permissions><self-uri xlink:href="https://journals.rudn.ru/miph/article/view/8294">https://journals.rudn.ru/miph/article/view/8294</self-uri><abstract xml:lang="en">Systems of overlapping spheres are widely used in macromolecular modeling, where atoms are represented by spheres. Study of geometric properties of such systems, like the surface area, the volume or the existence of internal cavities is important because of their physical applications. In this paper the cavity triangulation is applied to identify internal grid points for the numerical solution of the Poisson-Boltzmann equation describing the electrostatic potential of macromolecule.</abstract><trans-abstract xml:lang="ru">Системы пересекающихся сфер широко используются в моделировании макромолекул, где атомы представлены сферами. Изучение геометрических свойств таких систем как площадь поверхности и объём области или существование внутренних полостей важно в силу их физических применений. В этой работе применена триангуляция полостей для идентификации внутренних точек сетки для численного решения уравнения Пуассона-Больцмана, описывающего электростатический потенциал макромолекулы.</trans-abstract><kwd-group xml:lang="en"><kwd>Poisson-Boltzmann equation</kwd><kwd>macromolecular modeling</kwd><kwd>numerical solution</kwd></kwd-group><kwd-group xml:lang="ru"><kwd>уравнение Пуассона-Больцмана</kwd><kwd>макромолекулярное моделирование</kwd><kwd>численное решение</kwd></kwd-group></article-meta></front><body></body><back><ref-list><ref id="B1"><label>1.</label><mixed-citation>Lee B., Richards F. M. The Interpretation of Protein Structures: Estimation of Static Accessibility // J. Mol. Biol. - 1971. - Vol. 55. - Pp. 379-400.</mixed-citation></ref><ref id="B2"><label>2.</label><mixed-citation>Rashin A. A., Iofin M., Honig B. 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