发表论文
(1) Exosome cofactor hMTR4 competes with export adaptor ALYREF to ensure balanced nuclear RNA pools for degradation and export, EMBO JOURNAL, 2017, 通讯作者
(2) ALYREF mainly binds to the 5 ' and the 3 ' regions of the mRNA in vivo, NUCLEIC ACIDS RESEARCH, 2017, 通讯作者
(3) Polarizable force field development for lipids and their efficient applications in membrane proteins, WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE, 2017, 通讯作者
(4) Inert Gas Deactivates Protein Activity by Aggregation, SCIENTIFIC REPORTS, 2017, 通讯作者
(5) Recent Developments in Using Molecular Dynamics Simulation Techniques to Study Biomolecules, ACTA PHYSICO-CHIMICA SINICA, 2017, 通讯作者
(6) Computer Simulations to Explore Membrane Organization and Transport, Membrane biophysics, 2017, 通讯作者
(7) Multiscale Simulations on Spectral Tuning and the Photoisomerization Mechanism in Fluorescent RNA Spinach, JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2016, 通讯作者
(8) Mediation mechanism of tyrosine 185 on the retinal isomerization equilibrium and the proton release channel in the seven-transmembrane receptor bacteriorhodopsin, BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS, 2016, 通讯作者
(9) Wedelolactone enhances osteoblastogenesis by regulating Wnt/beta-catenin signaling pathway but suppresses osteoclastogenesis by NF-kappa B/c-fos/NFATc1 pathway, SCIENTIFIC REPORTS, 2016, 通讯作者
(10) Prevalent Accumulation of Non-Optimal Codons through Somatic Mutations in Human Cancers, PLOS ONE, 2016, 通讯作者
(11) Moderate and strong static magnetic fields directly affect EGFR kinase domain orientation to inhibit cancer cell proliferation, ONCOTARGET, 2016, 通讯作者
(12) Accurate Evaluation of Ion Conductivity of the Gramicidin A Channel Using a Polarizable Force Field without Any Corrections, JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2016, 通讯作者
(13) Validation of polarizable force field parameters for nucleic acids by inter-molecular interactions, FRONTIERS OF CHEMICAL SCIENCE AND ENGINEERI, 2016, 通讯作者
(14) Validation of polarizable force field parameters for nucleic acids by inter-molecular interactions, FRONTIERS OF CHEMICAL SCIENCE AND ENGINEERI, 2016, 通讯作者
(15) Hypotaurine evokes a malignant phenotype in glioma through aberrant hypoxic signaling, ONCOTARGET, 2016, 通讯作者
(16) Free Energy Simulations with the AMOEBA Polarizable Force Field and Metadynamics on GPU Platform, JOURNAL OF COMPUTATIONAL CHEMISTRY, 2016, 通讯作者
(17) Free Energy Simulations with the AMOEBA Polarizable Force Field and Metadynamics on GPU Platform, JOURNAL OF COMPUTATIONAL CHEMISTRY, 2016, 通讯作者
(18) Structural basis for activity regulation of MLL family methyltransferases, NATURE, 2016, 通讯作者
(19) Dynamic Regulation of the 7TM Receptor Bacteriorhodopsin Function under Alkaline pH Conditions, BIOPHYSICAL JOURNAL, 2016, 通讯作者
(20) The Effect of Codon Mismatch on the Protein Translation System, PLOS ONE, 2016, 通讯作者
(21) Coarse-Grained Modeling of Nucleic Acids Using Anisotropic Gay-Berne and Electric Multipole Potentials, JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2016, 通讯作者
(22) Some polarisable force fields for molecular dynamics simulations of lipids, and bilayers, MOLECULAR SIMULATION, 2016, 通讯作者
(23) Understanding enzyme reactions using enhanced sampling techniques, MOLECULAR SIMULATION, 2016, 通讯作者
(24) Nuclear AURKA acquires kinase-independent transactivating function to enhance breast cancer stem cell phenotype, NATURE COMMUNICATIONS, 2016, 第 1 作者
(25) Specific dephosphorylation of Janus Kinase 2 by protein tyrosine phosphatases, PROTEOMICS, 2015, 通讯作者
(26) Computational discovery and experimental verification of tyrosine kinase inhibitor pazopanib for the reversal of memory and cognitive deficits in rat model neurodegeneration, Chemical Science, 2015, 通讯作者
(27) Insights into the molecular recognition of the granuphilin C2A domain with PI(4,5)P2, CHEMISTRY AND PHYSICS OF LIPIDS, 2015, 第 9 作者
(28) Insights into the molecular recognition of the granuphilin C2A domain with PI(4,5)P2, CHEMISTRY AND PHYSICS OF LIPIDS, 2015, 第 9 作者
(29) Flubendazole, FDA-approved anthelmintic, targets breast cancer stem-like cells, Oncotarget, 2015, 其他(合作组作者)
(30) Ultrafast Tracking of a Single Live Virion During the Invagination of a Cell Membrane, Small, 2015, 通讯作者
(31) Folding Mechanisms of Trefoil Knot Proteins Studied by Molecular Dynamics Simulations and Go-model, Advances in Experimental Medicine and Biology, 2015, 通讯作者
(32) Advancement of Polarizable Force Field and Its Use for Molecular Modeling and Design, Advances in Experimental Medicine and Biology, 2015, 通讯作者
(33) Mechanistic insight into the functional transition of the enzyme guanylate kinase induced by a single mutation, Scientific Reports, 2015, 通讯作者
(34) An Anisotropic Coarse-Grained Model Based on Gay-Berne and Electric Multipole Potentials and its Application to Simulate a DMPC Bilayer in an Implicit Solvent Model, JOURNAL OF COMPUTATIONAL CHEMISTRY, 2015, 通讯作者
(35) Theoretical Studies on the Folding Mechanisms for Different DNA G-quadruplexes, Advances in Experimental Medicine and Biology, 2015, 通讯作者
(36) Identification, Characterization and Epitope Mapping of a Human Monoclonal Antibody J19 that Specifically Recognizes the Activated Integrin α4β7, J. Biological Chemistry, 2012, 通讯作者
(37) Modular Pathway Engineering of Diterpenoid Synthases and the Mevalonic Acid Pathway for Miltiradiene Production., J. Am. Chem. Soc., 2012, 通讯作者
(38) Computational Studies of Difference in Binding Modes of Peptide and Non-peptide inhibitors to MDM2/MDMX Based on Molecular Dynamics Simulation, Int. J. Mol. Sci., 2012, 通讯作者
(39) Investigation of Family 18 Chitinases and Inhibitors by Computer-aided Approaches., CURRENT DRUG TARGETS, 2012, 通讯作者
(40) Velocity-scaling optimized replica exchange molecular dynamics of proteins in a hybrid explicit /implicit solvent, J. Chem. Phys., 2011, 通讯作者
(41) Gay-Berne and Electrostatic Multipole based Coarse Grained Model and Application with Polyalanine in Implicit Solvent, J. Chem. Phys., 2011, 通讯作者
(42) Fast and Accurate Computation Scheme for Vibrational Entropy of Proteins. , J. Comp. Chem., 2011, 通讯作者
(43) How Does Influenza Virus A Escape from Amantadine, JOURNAL OF PHYSICAL CHEMISTRY B, 2010, 通讯作者
(44) Trypsin-Ligand Binding Free Energies from Explicit and Implicit Solvent Simulations with Polarizable Potentia., JOURNAL OF COMPUTATIONAL CHEMISTRY, 2009, 第 4 作者
(45) Structural understanding of stabilization patterns in engineered bispecific Ig-like antibody molecules, PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2009, 第 4 作者
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发表著作
(1) 大分子的正则振动分析:从酶活性位点到分子机器, Normal mode analysis of macromolecules: from enzyme active site to molecular machines, CRC , 2006-01, 第 1 作者
(2) Membrane Biophysics, springer, 2018-01, 第 2 作者
作者: huijing 时间: 2021-1-12 16:45
近日,我所李国辉研究员当选为英国皇家化学会会士(Fellow of the Royal Society of Chemistry, FRSC)。李国辉长期从事生物体系的结构、动力学与功能之间关系的理论化学研究,聚焦生物分子功能的动力学微观机理解析及理论预测,开展了创新的分子动力学模拟方法学和应用研究,取得了重要进展和显著的学术成绩,在国内外相关领域产生了重要影响。他在Nature、Science、Nat. Struc. Mol. Biol.、Nat. Plants、Mol. Cell、Nat. Commun.、J. Phys. Chem. Lett.、J. Med. Chem.等刊物上发表学术论文120余篇。
英国皇家化学会(Royal Society of Chemistry)成立于1841年,是国际上最有影响的学会之一,根据专家推荐,学会每年遴选英国及国际上在化学科学研究领域取得杰出成就和为推动化学科学发展做出卓越贡献的科学家为其会士。(文/楚慧郢)
该综述在生物大分子复合体研究的复杂性和挑战性背景下,回顾了近两年利用多尺度分子模拟和日趋成熟的单细胞冷冻电镜技术相结合的方法,在蛋白质-RNA/DNA复合体、蛋白质-蛋白质复合体、膜蛋白复合体等复杂生物体系多蛋白组装动态调控机制的相关研究。综述重点阐述了结合分子模拟和单细胞冷冻电镜方法自身特点和优势在复杂大分子生物体系时间和空间尺度的不断突破的观点,并提出了未来的挑战与发展趋势,研究广泛涉及到生物化学、分子生物学、细胞生物学、生物物理学、计算生物学、化学等领域。
该综述文章以“Multiscale Simulations of Large Complexes in Conjunction with Cryo-EM Analysis”为题发表在Current Opinion in Structural Biology期刊的Theory and Simulation/Computational Methods栏目中。该工作的第一作者是我所1106组副研究员廖晨伊和助理研究员刘野。相关工作得到国家自然科学基金、中科院B类先导专项“生物大分子复合体结构与功能的跨尺度研究”等项目的支持。(文/图 刘野、廖晨伊)
文章链接:https://doi.org/10.1016/j.sbi.2021.07.008