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The future of biomolecular simulation in the pharmaceutical industry: what we can learn from aerodynamics modelling and weather prediction. Part 1. understanding the physical and computational complexity of in silico drug design
Acta Crystallographica Section D ( IF 2.6 ) Pub Date : 2021-10-27 , DOI: 10.1107/s2059798321009712 Tom Edwards 1 , Nicolas Foloppe 2 , Sarah Anne Harris 3 , Geoff Wells 4
中文翻译:
制药行业生物分子模拟的未来:我们可以从空气动力学建模和天气预报中学到什么。第 1 部分:了解计算机药物设计的物理和计算复杂性
更新日期:2021-11-03
Acta Crystallographica Section D ( IF 2.6 ) Pub Date : 2021-10-27 , DOI: 10.1107/s2059798321009712 Tom Edwards 1 , Nicolas Foloppe 2 , Sarah Anne Harris 3 , Geoff Wells 4
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中文翻译:
制药行业生物分子模拟的未来:我们可以从空气动力学建模和天气预报中学到什么。第 1 部分:了解计算机药物设计的物理和计算复杂性