Alexander D MacKerell1, Michael Feig, Charles L Brooks

  • 1Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, 20 Penn Street, Baltimore, Maryland 21201, USA. amackere@rx.umaryland.edu

概括

这项研究引入了一个网格校正来增强蛋白质力场计算. 这种新方法提高了蛋白质和模型化合物的骨结构能量的准确性.