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Normal mode analysis of biomolecular structures: functional mechanisms of membrane proteins.生物分子结构的正常模式分析：膜蛋白的功能机制
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Structural basis of PKM2 regulation.丙酮酸激酶M2（PKM2）调控的结构基础
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A functional NMR for membrane proteins: dynamics, ligand binding, and allosteric modulation.用于膜蛋白的功能核磁共振：动力学、配体结合与变构调节
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New limits of sensitivity of site-directed spin labeling electron paramagnetic resonance for membrane proteins.膜蛋白定点自旋标记电子顺磁共振灵敏度的新极限
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Allostery in membrane proteins.变构作用在膜蛋白中的作用。
Curr Opin Struct Biol. 2020 Jun;62:197-204. doi: 10.1016/j.sbi.2020.03.006. Epub 2020 May 20.
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A structural perspective on tail-anchored protein biogenesis by the GET pathway.GET 通路介导的尾部锚定蛋白生物发生的结构视角
Curr Opin Struct Biol. 2018 Aug;51:195-202. doi: 10.1016/j.sbi.2018.07.009. Epub 2018 Aug 30.
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Structural insight into mechanisms for dynamic regulation of PKM2.对丙酮酸激酶M2（PKM2）动态调节机制的结构洞察
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Helix-helix interactions in membrane domains of bitopic proteins: Specificity and role of lipid environment.双跨膜蛋白膜域中的螺旋-螺旋相互作用：脂环境的特异性和作用。
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Accurate Determination of Conformational Transitions in Oligomeric Membrane Proteins.寡聚膜蛋白构象转变的准确测定
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Bacterial Chemoreceptor Dynamics: Helical Stability in the Cytoplasmic Domain Varies with Functional Segment and Adaptational Modification.细菌化学感受器动力学：细胞质结构域中的螺旋稳定性随功能片段和适应性修饰而变化。
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Cryo-electron microscopy structures of a high-affinity zinc ABC transporter.一种高亲和力锌ABC转运蛋白的冷冻电镜结构
bioRxiv. 2025 Jul 4:2025.07.03.663024. doi: 10.1101/2025.07.03.663024.
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Rational molecular design of novel class-III peptidic antagonists to competitively disrupt human PPARδ self-binding peptide.新型III类肽拮抗剂的合理分子设计，以竞争性破坏人PPARδ自结合肽。
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Dissecting Large-Scale Structural Transitions in Membrane Transporters Using Advanced Simulation Technologies.利用先进模拟技术剖析膜转运蛋白中的大规模结构转变
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The Evolving Landscape of Protein Allostery: From Computational and Experimental Perspectives.蛋白质变构的演变态势：从计算和实验视角看
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An accelerated molecular dynamics study for investigating protein pathways using the bond-boost hyperdynamics method.一项使用键增强超动力学方法研究蛋白质途径的加速分子动力学研究。
Protein Sci. 2025 Mar;34(3):e70073. doi: 10.1002/pro.70073.
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Structural and Thermodynamic Impact of Oncogenic Mutations on the Nucleosome Core Particle.致癌突变对核小体核心颗粒的结构和热力学影响
bioRxiv. 2025 Feb 16:2025.02.14.638149. doi: 10.1101/2025.02.14.638149.
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Extended Sampling of Macromolecular Conformations from Uniformly Distributed Points on Multidimensional Normal Mode Hyperspheres.从多维简正模式超球面上均匀分布的点对大分子构象进行扩展采样。
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Complementing Adiabatic and Nonadiabatic Methods To Understand Internal Conversion Dynamics in Porphyrin Derivatives.互补的绝热和非绝热方法用于理解卟啉衍生物中的内转换动力学。
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Impact of Replicas and Simulation Length on In Silico Behaviors of a Protein Domain.复制品和模拟时长对蛋白质结构域计算机模拟行为的影响
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Exploration of Cryptic Pockets Using Enhanced Sampling Along Normal Modes: A Case Study of KRAS .利用沿正则模态的增强采样技术探索隐窝：以 KRAS 为例的研究
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本文引用的文献
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Computing the Amino Acid Specificity of Fluctuations in Biomolecular Systems.计算生物分子系统中波动的氨基酸特异性
J Chem Theory Comput. 2006 May;2(3):873-8. doi: 10.1021/ct050247s.
2
The intrinsic dynamics of enzymes plays a dominant role in determining the structural changes induced upon inhibitor binding.酶的内在动力学在决定抑制剂结合时诱导的结构变化中起主导作用。
Proc Natl Acad Sci U S A. 2009 Aug 25;106(34):14349-54. doi: 10.1073/pnas.0904214106. Epub 2009 Aug 17.
3
A comparative analysis of the equilibrium dynamics of a designed protein inferred from NMR, X-ray, and computations.基于 NMR、X 射线和计算推断的设计蛋白质的平衡动力学比较分析。
Proteins. 2009 Dec;77(4):927-39. doi: 10.1002/prot.22518.
4
Inherent dynamics of the acid-sensing ion channel 1 correlates with the gating mechanism.酸敏感离子通道1的内在动力学与门控机制相关。
PLoS Biol. 2009 Jul;7(7):e1000151. doi: 10.1371/journal.pbio.1000151. Epub 2009 Jul 14.
5
Vibrational dynamics of icosahedrally symmetric biomolecular assemblies compared with predictions based on continuum elasticity.与基于连续介质弹性的预测相比，二十面体对称生物分子聚集体的振动动力学
Biophys J. 2009 Jun 3;96(11):4438-48. doi: 10.1016/j.bpj.2009.03.016.
6
Allosteric transitions of supramolecular systems explored by network models: application to chaperonin GroEL.通过网络模型探索超分子系统的变构转变：应用于伴侣蛋白GroEL
PLoS Comput Biol. 2009 Apr;5(4):e1000360. doi: 10.1371/journal.pcbi.1000360. Epub 2009 Apr 17.
7
Molecular dynamics simulations of membrane channels and transporters.膜通道和转运体的分子动力学模拟
Curr Opin Struct Biol. 2009 Apr;19(2):128-37. doi: 10.1016/j.sbi.2009.02.011. Epub 2009 Apr 1.
8
Detection and trapping of intermediate states priming nicotinic receptor channel opening.检测和捕获引发烟碱受体通道开放的中间状态。
Nature. 2009 May 21;459(7245):451-4. doi: 10.1038/nature07923. Epub 2009 Apr 1.
9
Molecular simulations elucidate the substrate translocation pathway in a glutamate transporter.分子模拟阐明了谷氨酸转运体中的底物转运途径。
Proc Natl Acad Sci U S A. 2009 Feb 24;106(8):2589-94. doi: 10.1073/pnas.0812299106. Epub 2009 Feb 6.
10
Identifying conformational changes of the beta(2) adrenoceptor that enable accurate prediction of ligand/receptor interactions and screening for GPCR modulators.识别β₂肾上腺素能受体的构象变化，以实现对配体/受体相互作用的准确预测并筛选G蛋白偶联受体调节剂。
J Comput Aided Mol Des. 2009 May;23(5):273-88. doi: 10.1007/s10822-008-9257-9. Epub 2009 Jan 16.
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