Biomolecular Modeling and Simulation: A Prospering Multidisciplinary Field.
Biomolecular Modeling and Simulation: A Prospering Multidisciplinary Field.
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生物分子建模与模拟：一个新兴的多学科领域。
DOI：
10.1146/annurev-biophys-091720-102019
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发表时间：
2021-05-06
影响因子：
12.4
通讯作者：
Xue E
中科院分区：
文献类型：
--
作者：
Schlick T;Portillo-Ledesma S;Myers CG;Beljak L;Chen J;Dakhel S;Darling D;Ghosh S;Hall J;Jan M;Liang E;Saju S;Vohr M;Wu C;Xu Y;Xue E
我们在生物分子建模和仿真领域重新评估进展，跟随我们在2011年发表的观点。通过审查该领域的生产力指标并提供成功的实例，我们强调了该领域的生产阶段，其短期期望被高估了长期效果被低估了，这些成功包括对生物分子活动的新见解在建模和实验中，我们还讨论了田间练习和网络游戏的影响，我们注意到了生物分子建模社区的巨大成功新算法的开发和应用，特别是机器学习和人工智能。在实验和理论或模拟是完整的伴侣的情况下，建立示例性学科。
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 and scope of modeling and simulation, establishing an exemplary discipline where experiment and theory or simulations are full partners.
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影响因子：
3.6
作者：
Childers MC;Daggett V
通讯作者：
Daggett V
影响因子：
64.8
作者：
Chevalier A;Silva DA;Rocklin GJ;Hicks DR;Vergara R;Murapa P;Bernard SM;Zhang L;Lam KH;Yao G;Bahl CD;Miyashita SI;Goreshnik I;Fuller JT;Koday MT;Jenkins CM;Colvin T;Carter L;Bohn A;Bryan CM;Fernández-Velasco DA;Stewart L;Dong M;Huang X;Jin R;Wilson IA;Fuller DH;Baker D
通讯作者：
Baker D
DOI：
10.1073/pnas.1404948111
发表时间：
2014-09-23
影响因子：
11.1
作者：
Boomsma, Wouter;Tian, Pengfei;Vendruscolo, Michele
通讯作者：
Vendruscolo, Michele
影响因子：
5.6
作者：
Anderson-Lee J;Fisker E;Kosaraju V;Wu M;Kong J;Lee J;Lee M;Zada M;Treuille A;Das R;Eterna Players
通讯作者：
Eterna Players
影响因子：
3
作者：
BROOKS, BR;BRUCCOLERI, RE;KARPLUS, M
通讯作者：
KARPLUS, M