Version 1
: Received: 28 February 2024 / Approved: 29 February 2024 / Online: 29 February 2024 (11:39:32 CET)
How to cite:
Garduño-Juarez, R.; Tovar-Anaya, D. O.; Perez-Aguilar, J. M.; Lozano-Aguirre, L. F.; Zubillaga, R. A.; Alvarez-Perez, M. A.; Villarreal-Ramirez, E. Molecular Dynamic Simulations for Biopolymers with Biomedical Applications. Preprints2024, 2024021682. https://doi.org/10.20944/preprints202402.1682.v1
Garduño-Juarez, R.; Tovar-Anaya, D. O.; Perez-Aguilar, J. M.; Lozano-Aguirre, L. F.; Zubillaga, R. A.; Alvarez-Perez, M. A.; Villarreal-Ramirez, E. Molecular Dynamic Simulations for Biopolymers with Biomedical Applications. Preprints 2024, 2024021682. https://doi.org/10.20944/preprints202402.1682.v1
Garduño-Juarez, R.; Tovar-Anaya, D. O.; Perez-Aguilar, J. M.; Lozano-Aguirre, L. F.; Zubillaga, R. A.; Alvarez-Perez, M. A.; Villarreal-Ramirez, E. Molecular Dynamic Simulations for Biopolymers with Biomedical Applications. Preprints2024, 2024021682. https://doi.org/10.20944/preprints202402.1682.v1
APA Style
Garduño-Juarez, R., Tovar-Anaya, D. O., Perez-Aguilar, J. M., Lozano-Aguirre, L. F., Zubillaga, R. A., Alvarez-Perez, M. A., & Villarreal-Ramirez, E. (2024). Molecular Dynamic Simulations for Biopolymers with Biomedical Applications. Preprints. https://doi.org/10.20944/preprints202402.1682.v1
Chicago/Turabian Style
Garduño-Juarez, R., Marco Antonio Alvarez-Perez and Eduardo Villarreal-Ramirez. 2024 "Molecular Dynamic Simulations for Biopolymers with Biomedical Applications" Preprints. https://doi.org/10.20944/preprints202402.1682.v1
Abstract
Computational modeling (CM) is a versatile scientific methodology used to examine the properties and behavior of complex systems, such as polymeric materials for biomedical bioengineering. CM has emerged as a primary tool for predicting, setting up, and interpreting experimental results. Integrating in silico and in vitro experiments accelerates scientific advancements, yielding quicker results at a reduced cost. While CM is a mature discipline, its recent prominence in Bio-medical Engineering for biopolymer materials has recently gained prominence. In biopolymer biomedical engineering, CM focuses on three key research areas: A) Computer-aided design (CAD/CAM), B) Finite Element Analysis, and C) Molecular Dynamic Simulations.
This review centers on Molecular Dynamics (MD) simulations in biopolymers, analyzing structural, functional, and evolutionary aspects of biomolecular systems over time. MD simulations solve Newton's equations of motion for all-atom systems, generating spatial trajectories for each atom, providing insights into properties like water absorption on biopolymer surfaces and interactions with solid surfaces, crucial for biomaterial assessment.
This review offers readers a comprehensive overview of the diverse applications of Molecular Dynamics (MD) simulations on biopolymers. Furthermore, it emphasizes the flexibility, robustness, and synergistic relationship between in silico and experimental techniques.
Chemistry and Materials Science, Materials Science and Technology
Copyright:
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.