期刊
CHEMICAL COMMUNICATIONS
卷 56, 期 31, 页码 4360-4363出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c9cc07714f
关键词
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资金
- Alexander von Humboldt Foundation (Carl Friedrich von Siemens research award)
- National Science Center, Poland [UMO-2018/31/B/NZ7/02089, UMO-2017/26/M/NZ1/00797]
- European Union [675555]
- Accelerated Early staGe drug discovery (AEGIS)
We show that a water envelope network plays a critical role in protein-protein interactions (PPI). The potency of a PPI inhibitor is modulated by orders of magnitude on manipulation of the solvent envelope alone. The structure-activity relationship of PEX14 inhibitors was analyzed as an example using in silico and X-ray data.
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