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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...
Putative Hydrogen Bond to Tyrosine M208 in Photosynthetic Reaction Centers from Rhodobacter capsulatus Significantly Slows Primary Charge Separation
Coagulation Nano TiO2 Nano Al2O3 Breakage Fractal dimension
2016/5/25
Slow, ～50 ps, P* → P(+)HA(-) electron transfer is observed in Rhodobacter capsulatus reaction centers (RCs) bearing the native Tyr residue at M208 and the single amino acid change of isoleucine at M20...
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 ...
Dynamic Properties of Proton Transfer in the
Anharmonic-Interaction Hydrogen Bond Systems
hydrogen bond system anharmonic interaction solitary wave
2007/8/15
2001Vol.35No.5pp.615-620DOI:
Dynamic Properties of Proton Transfer in the
Anharmonic-Interaction Hydrogen Bond Systems
YAN Xun-Ling,1 DONG Rui-Xin1 and PANG Xiao-Feng2
1...
Influences of Structure Disorder and Temperature on Properties of
Proton Conductivity in Hydrogen-Bond Molecular Systems
proton conductivity structure disorder temperature hydrogen bonded system
2007/8/15
2007Vol.47No.2pp.235-243DOI:
Influences of Structure Disorder and Temperature on Properties of
Proton Conductivity in Hydrogen-Bond Molecular Systems
PANG Xiao-Feng1,2 and YU Jia-...
专著信息
书名
ESR spin-label study of poly(styrene-co-methacrylic acid)/poly(e-caprolactone) semi-interpenetrating polymer networks with controlled hydrogen-bond interactions
语种
英文
撰写或编译
作者
Furong Qiu,Shimi...
Vibrational spectra of dense, hydrous magnesium silicates at high pressure: Importance of the hydrogen bond angle
high pressure hydrogen bond angle dense hydrous magnesium silicates
2012/3/31
Changes in configuration and hydrogen bonding are inferred from the complex responses of
peak parameters (frequency, width, height, and area) to compression for various hydroxyl groups) depend not on...
Bottinoite, Ni(H2O)6[Sb(OH)6]2: Crystal structure, twinning, and hydrogen-bond model
Bottinoite Ni(H2O)6[Sb(OH)6]2 Crystal structure twinning hydrogen-bond model
2012/4/9
The crystal structure ofbottinoite, Ni(H20MSb(OH)6L, wasdetermined from a twinned crystal. This study revealed that the strong 31m pseudosymmetry shown by allthe natural and synthetic crystals examine...