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  5. Full System Quantum Mechanical Calculation of Protein-Ligand Interaction Energy with Subsystem Densi

Full System Quantum Mechanical Calculation of Protein-Ligand Interaction Energy with Subsystem Densi

来源 :The 15th ICQC International Congress of Quantum Chemistry(第1 | 被引量 : 0次 | 上传用户：zzyp
【摘 要】
：
An accurate model for calculating the free energy of binding of small molecules with receptor proteins is the Holy Grail in computer aided drug discovery and design.
【作 者】
：
Xianlong Wang Michal Handzlik Joyce Koenen Albert J.Kooistra Chris de Graaf Lucas Visscher 
【机 构】
：
School of Life Science and Technology,University of Electronic Science and Technology of China,China
【出 处】
：
The 15th ICQC International Congress of Quantum Chemistry(第1
【发表日期】
：
2015年5期
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An accurate model for calculating the free energy of binding of small molecules with receptor proteins is the Holy Grail in computer aided drug discovery and design.
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