Functional Loop dynamics of S-component in ECF transporter

来源 :第十三届全国量子化学会议 | 被引量 : 0次 | 上传用户：quantity22

【摘要】

：

ECF transporters are responsible for many micronutrients uptake in organisms.S component FolT of ECF transporter is recently crystallized and provides solid basis to study the micronutrients binding m

【作者】

：

Linqiong Qiu Jianing Song John Z.H.Zhang

【机构】

：

School of Chemistry and Molecular Engineering,East China Normal University,Shanghai;State Key Labora

【出处】

：

第十三届全国量子化学会议

【发表日期】

：

2017年10期

【关键词】

：

ECF transporter MD folate transporter functional loop gate loop

下载到本地 , 更方便阅读

下载此文赞助VIP

声明 : 本文档内容版权归属内容提供方 , 如果您对本文有版权争议 , 可与客服联系进行内容授权或下架

论文部分内容阅读

其他文献

Vibronic-Diabatic-Hamiltonian Construction for Excited-State Electron and Energy Transfer Processes

Photoinduced excited-state electron and energy transfer processes are crucial in biological photo-harvesting systems and organic photovoltaic devices.

会议

diabatizationvibronic couplingelectron transferenergy transfer

Electrostatic-multipole-based Force Fields for Coarse-grained Simulations of Protein

In present work,we proposed two generic electrostaticmultipole-based force fields for protein coarse-grained(CG)simulations,respectively,namely two-bead multipole force field(TMFF)and point-dipole-bas

会议

coarse-grained modelforce fieldelectric multipolemolecular dynamic

基于羟基喹啉-咪唑啉酮发色基团设计可达到红色发射光谱波段的荧光发色基团

通过水母研究发现，突变后的拥有HQI 发色基团结构的荧光蛋白较于原始的拥有HBI 发色基团结果的蛋白质发生了红移现象。

会议

羟基喹啉-咪唑啉酮苯酚-咪唑啉酮可极化连续模型轨道间隙红移推电子基团拉电子基团

Interplay between Halogen and Hydrogen Bonds in 2D Self-Assembly on Gold Surface:A First-Principles

The cooperation and competition of halogen bonding and hydrogen bonding have arisen recent interest in the formation of 2D self-assembled molecular arrays on solid surfaces.

会议

Halogen BondHydrogen BondInterplay2D Self-Assembly

双离子液体催化CO2、环氧乙烷和胺类的反应:取代基效应的理论研究

采用双离子液体(BmimBr 和BmimOAc)作催化剂，可以实现将二氧化碳、环氧乙烷和胺类有效地转化成相应的有价值的化学产物恶唑烷酮。此复杂反应由两个平行反应和后续反应组成，并同时伴有副反应的发生。

会议

CO2活化取代基机理计算

Unlocking the potential of graphene for water oxidation from orbital hybridization strategy

An advanced design concept is highly desired to direct the development of graphenebased materials for efficient and stable OER based on the p-band catalytic center.

会议

Molecular Design and Property Prediction for a Series of Novel Dicyclic 2,6-Diamino-3,5-Dinitropyraz

Quantum chemistry calculations and thermodynamics methods were carried out to screen out novel high energy density materials(HEDMs)from several new derivatives with dicyclic structures of 2,6-diamino-

会议

HEDMsLLM-105TNAZself hybridCL-20HMX

A new fragment scheme for full quantum mechanical calculations of metalloprotein energy and atomic f

Metal-MFCC method is a new Fragment scheme that focus on accuracy calculation of the metalloprote in energy and atomic forces for simulating the interaction between the metal ions and proteins at the

会议

Ab initio simulationFragment methodMetalloprotein

Theoretical Studies of Unimolecular Thermal Decomposition Reactions of n-Hexane and the n-Hexene Iso

Alkenes are not only important components of realistic fuels,but also important intermediates during combustion processes for all hydrocarbon and many alternative fuels.

会议

n-hexanen-hexenetheoretical kineticsthermal decomposition reactionRRKM/ME

氮杂环丙烷与炔类的[5+2]与[3+2]分子间环加成反应机理的研究

近来实验报道了一价铑催化乙烯基氮杂环丙烷与炔类底物的[5+2]与[3+2]分子间环加成反应。在反应的底物和反应条件相同的条件下，使用[Rh(NBD)2]BF4 作为催化剂得到了[3+2]产物，而用[Rh(η 6-C10H8)(COD)]SbF6 催化得到了[5+2]产物，实现了产物的高效选择性。

会议

环加成铑催化机理计算

Functional Loop dynamics of S-component in ECF transporter

其他学术论文