分子对接与分子动力学相结合应用与药物设计.pdfVIP

Combining Docking and Molecular Dynamic Simulations in Drug Design ´ 1 2 1 Hernan Alonso, Andrey A. Bliznyuk, Jill E. Gready 1Computational Proteomics Group, John Curtin School of Medical Research, The Australian National University, Canberra ACT 0200, Australia 2ANU Supercomputer Facility, The Australian National U