References

sapi

Системный анализ и прикладная информатика

«System analysis and applied information science»

2309-49232414-0481

Belarusian National Technical University

10.21122/2309-4923-2026-2-4-14

sapi-808

Research Article

Системный анализ

System analysis

Оценочные функции моделей молекулярного докинга белков: классификация и применение в биоинформатике

Scoring functions of molecular protein docking models: classification and application in bioinformatics

https://orcid.org/0000-0001-9500-2954

Спринджук

М. В.

Sprindzuk

M. V.

Кандидат технических наук, старший научный сотрудник.ул. Сурганова, 6,220072, г. МинскE-mail: stepanenkomatvei@yandex.ru

PhD (Technical Sciences, Informatics, Engineering), Senior Researcher.Surganova St., 6, 220072, Minsk.E-mail: stepanenkomatvei@yandex.ru Tel: +375 33 682 57 55

stepanenkomatvei@yandex.ru

https://orcid.org/0000-0001-6382-1736

Кукарцев

В. В.

Kukartsev

V. V.

Кандидат технических наук, доцент.г. МоскваE-mail: vlad_saa_2000@mail.ru

PhD (Technical Sciences, Informatics, Engineering), Associate Professor.Moscow. E-mail: vlad_saa_2000@mail.ru

vlad_saa_2000@mail.ru

https://orcid.org/0000-0002-8521-1741

Ноздрачева

А. В.

Nozdracheva

А. V.

Кандидат медицинских наук, доцент.г. МоскваE-mail: nozdracheva0506@gmail.com

PhD in Medical Sciences, Associate Professor. MoscowE-mail: nozdracheva0506@gmail.com

nozdracheva0506@gmail.com

https://orcid.org/0000-0002-8823-0630

Кончиц

А. П.

Konchits

A. P.

Кандидат биологических наук, ведущий научный сотрудник.г. ГомельE-mail: konchits@yandex.ru

PhD in Biology, Leading Researcher.GomelE-mail: konchits@yandex.ru

konchits@yandex.ru

https://orcid.org/0000-0001-6927-5043

Владыко

А. С.

Vladyko

A. S.

Доктор медицинских наук, внештатный научный консультант.г. Минск

Doctor of Medical Sciences. Freelance Scientific Consultant. Minsk

https://orcid.org/0000-0001-8096-1079

Берник

В. И.

Bernik

V. I.

Доктор физико-математических наук, профессор. ул. Сурганова, 11, 220072, г. МинскE-mail: bernik@im.bas-net.by

Doctor of Physical and Mathematical Sciences, Professor.Surganova St., 11, 220072, Minsk.E-mail: bernik@im.bas-net.by

bernik@im.bas-net.by

https://orcid.org/0000-0002-3693-1494

Сукач

Е. И.

Sukach

E. I.

Кандидат технических наук, доцент.г. Гомель

E-mail: elena.sukach@mail.ru

PhD (Technical Sciences, Informatics, Engineering), Associate Professor. Gomel.E-mail: elena.sukach@mail.ru

eisukach@gsu.by

Объединенный институт проблем информатики Национальной академии наук БеларусиБеларусьUnited Institute of Informatics Problems of the National Academy of Sciences of BelarusBelarus

Российский государственный аграрный университет — МСХА им. К. А. Тимирязева; Московский государственный технический университет им. Н. Э. БауманаРоссияRussian State Agrarian University – Moscow Timiryazev Agricultural Academy; Bauman Moscow State Technical UniversityRussian Federation

Национальный исследовательский центр эпидемиологии и микробиологии имени почетного академика Н. Ф. Гамалеи Минздрава РоссииРоссияNational Research Center for Epidemiology and Microbiology named after Honorary Academician F. Gamaleya of the Ministry of Health of the Russian FederationRussian Federation

Институт леса Национальной академии наук БеларусиБеларусьInstitute of Forestry of the National Academy of Sciences of Belarus GomelBelarus

Научно-исследовательский институт гигиены, токсикологии, эпидемиологии, вирусологии и микробиологии государственного учреждения «Республиканский центр гигиены, эпидемиологии и общественного здоровья»БеларусьScientific Research Institute of Hygiene, Toxicology, Epidemiology, Virology and Microbiology, state institution"Republican Center of Hygiene, Epidemiology and Public Health&quotBelarus

Институт математики Национальной академии наук БеларусиБеларусьInstitute of Mathematics of the National Academy of Sciences of BelarusBelarus

Гомельский государственный университет имени Франциска СкориныБеларусьFrancisk Skorina Gomel State UniversityBelarus

2026

17072026

02414

2026

Спринджук М.В., Кукарцев В.В., Ноздрачева А.В., Кончиц А.П., Владыко А.С., Берник В.И., Сукач Е.И.

Sprindzuk M.V., Kukartsev V.V., Nozdracheva А.V., Konchits A.P., Vladyko A.S., Bernik V.I., Sukach E.I.

Данная работа распространяется под лицензией Creative Commons Attribution 4.0.

This work is licensed under a Creative Commons Attribution 4.0 License.

https://sapi.bntu.by/jour/article/view/808

В обзорной статье представлена обобщенная интегрированная классификация оценочных (скоринговых функций) молекулярного докинга моделей взаимодействия белков. Приводится описание различных видов таких оценочных функций, рассматриваются отдельные релевантные вопросы биофармацевтики, медицинской кибернетики, вычислительной биологии и биофизики, прикладной математики. Статья может быть интересна широкому кругу читателей, в том числе для ученых различных специальностей, инженеров-программистов, разрабатывающих автоматизированные системы обработки биоинформации, для преподавателей-лекторов по данной тематике, для магистрантов и аспирантов по специальностям биоинформатики, системного анализа, системы медицинского назначения и теоретических основ информатики.

This review article presents a generalized, integrated classification of scoring functions for molecular docking of protein interaction models. It describes various types of scoring functions and reports relevant issues in biopharmaceuticals, medical cybernetics, computational biology and biophysics, applied mathematics. This article may be of interest to a wide range of readers, including scientists from various fields, software engineers, developing automated bioinformation processing systems, lecturers on relevant topics, graduate and postgraduate students in bioinformatics, systems analysis, medical software systems research

молекулярный докингмедицинская кибернетикавычислительная биологиягеномикараспознавание образовискусственный интеллектбиоинформатикавычислительный анализприкладная математикакомпьютерные системы медицинского назначенияприборостроение и метрология

molecular dockingmedical cyberneticscomputational biologygenomicspattern recognitionartificial intelligencebioinformaticscomputational analysisapplied mathematicsmedical computer systemsscoring software toolshardware and software engineering

Исследование выполнено при поддержке грантов ISTC PR150, Advancing Data Integration, AI-Based Image Analysis, and Genomic Research in Belarus, а также государственных научных программ ОИПИ НАН Беларуси.

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The authors declare that there are no conflicts of interest present.