Biomolecular Modeling and Simulation: A Prospering Multidisciplinary Field
| Autor: | Chris Wu, Tamar Schlick, Lauren Beljak, Justin Chen, Daniel Darling, Yifan Xu, Sami Dakhel, Stephanie Portillo-Ledesma, Mikaeel Jan, Mackenzie Vohr, Eva Xue, Emily Liang, Sayak Ghosh, Sera Saju, Joseph Lorenzo Hall, Christopher G. Myers |
|---|---|
| Rok vydání: | 2021 |
| Předmět: |
0301 basic medicine
2019-20 coronavirus outbreak 010304 chemical physics Coronavirus disease 2019 (COVID-19) Computer science Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) Biophysics Bioengineering Cell Biology 01 natural sciences Biochemistry Data science Multiscale modeling Field (computer science) Article Modeling and simulation 03 medical and health sciences 030104 developmental biology Structural Biology Multidisciplinary approach 0103 physical sciences Computer Simulation Rna folding Algorithms |
| Zdroj: | Annu Rev Biophys |
| ISSN: | 1936-1238 |
| Popis: | We reassess progress in the field of biomolecular modeling and simulation, following up on our perspective published in 2011. By reviewing metrics for the field's productivity and providing examples of success, we underscore the productive phase of the field, whose short-term expectations were overestimated and long-term effects underestimated. Such successes include prediction of structures and mechanisms; generation of new insights into biomolecular activity; and thriving collaborations between modeling and experimentation, including experiments driven by modeling. We also discuss the impact of field exercises and web games on the field's progress. Overall, we note tremendous success by the biomolecular modeling community in utilization of computer power; improvement in force fields; and development and application of new algorithms, notably machine learning and artificial intelligence. The combined advances are enhancing the accuracy andscope of modeling and simulation, establishing an exemplary discipline where experiment and theory or simulations are full partners. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|