Editorial: Recent advances in computational modelling of biomolecular complexes

Simón Poblete; Sergio Pantano; Kei-Ichi Okazaki; Zhongjie Liang; Kurt Kremer; Adolfo B Poma

doi:10.3389/fchem.2023.1200409

Editorial: Recent advances in computational modelling of biomolecular complexes

Front Chem. 2023 Apr 11:11:1200409. doi: 10.3389/fchem.2023.1200409. eCollection 2023.

Authors

Simón Poblete^{1

2}, Sergio Pantano³, Kei-Ichi Okazaki⁴, Zhongjie Liang⁵, Kurt Kremer⁶, Adolfo B Poma⁷

Affiliations

¹ Instituto de Ciencias Físicas y Matemáticas, Universidad Austral de Chile, Valdivia, Chile.
² Computational Biology Lab, Fundación Ciencia & Vida, Santiago, Chile.
³ Institut Pasteur de Montevideo, Montevideo, Uruguay.
⁴ Department of Theoretical and Computational Molecular Science, Institute for Molecular Science, National Institutes of Natural Sciences, Okazaki, Japan.
⁵ Center for Systems Biology, Department of Bioinformatics, School of Biology and Basic Medical Sciences, Soochow University, Suzhou, China.
⁶ Max Planck Institute for Polymer Research, Mainz, Germany.
⁷ Biosystems and Soft Matter Division, Institute of Fundamental Technological Research, Polish Academy of Sciences, Warsaw, Poland.

No abstract available

Keywords: GōMartini approach; Martini 3; aggregation; biopolymers; coarse-grained method; machine learning; multiscale approach; nanomechanics.

Publication types

Editorial

Grants and funding

SPo acknowledges support from FONDECYT grant 1231071. AP acknowledges financial support from the National Science Center, Poland, under grant 2022/45/B/NZ1/02519 and computational resources were supported by the PL-GRID infrastructure. This work was partially funded by FOCEM (MERCOSUR Structural Convergence Fund), COF 03/11.