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Dissecting Proton Delocalization in an Enzyme’s Hydrogen Bond Network with Unnatural Amino Acids
Dissecting Proton Delocalization Enzyme’s Hydrogen Bond Network Unnatural Amino Acids
2016/5/25
Extended hydrogen bond networks are a common structural motif of enzymes. A recent analysis proposed quantum delocalization of protons as a feature present in the hydrogen bond network spanning a tria...
Quantum delocalization of protons in the hydrogen-bond network of an enzyme active site
ab initio path integral molecular dynamics enzyme hydrogen bonding nuclear quantum effects proton delocalization
2016/5/25
Enzymes use protein architectures to create highly specialized structural motifs that can greatly enhance the rates of complex chemical transformations. Here, we use experiments, combined with ab init...
A conserved water-mediated hydrogen bond network defines bosutinib’s kinase selectivity
Humans Water Quinolines Nitriles Aniline Compounds src-Family Kinases Amino Acid Substitution Conserved Sequence Substrate Specificity Hydrogen Bonding
2016/5/25
Kinase inhibitors are important cancer drugs, but they tend to display limited target specificity, and their target profiles are often challenging to rationalize in terms of molecular mechanism. Here ...
Quantitative Dissection of Hydrogen Bond-Mediated Proton Transfer in the Ketosteroid Isomerase Active Site
active site environment computational modeling enzyme catalysis protein electrostatics protein semisynthesis
2016/5/25
Hydrogen bond networks are key elements of protein structure and function but have been challenging to study within the complex protein environment. We have carried out in-depth interrogations of the ...
Toward an antibody peptidase: Mechanistic studies of peptide-bond hydrolysis
Antibody peptide enzyme hydrolysis peptide peptide bond hydrolysis temperature primary amine derivatives
2014/12/11
To maximize the probability of obtaining an antibody peptidase, an efficient assay for the hydrolysis of peptide bonds was developed. Two methods for detecting the uncatalyzed rate of hydrolysis of a ...
期刊信息
篇名
The peptide bond between E292-A293 of Escherichia coli leucyl-tRNA synthetase is essential for aminoacylation activity
语种
中文
撰写或编译
撰写
作者
Tong Li,Nini Guo,Xian Xia,En-Duo Wang(通讯作者),Ying-lai Wa...
期刊信息
篇名
Floding Lattice HP Model of Proteins Using the Bond-Fluctuation Model
语种
英文
撰写或编译
作者
Zhang Linxi(章林溪),Zhao Delu(赵得禄)
第一作者单位
刊物名称
Macromol. Theory Simul.
页面
2001,10,518-522
出版日期
2001年
月
日
文章标识(...