[图书][B] Advances in protein molecular and structural biology methods
T Tripathi, VK Dubey - 2022 - books.google.com
Advances in Protein Molecular and Structural Biology Methods offers a complete overview of
the latest tools and methods applicable to the study of proteins at the molecular and …
the latest tools and methods applicable to the study of proteins at the molecular and …
[HTML][HTML] Implementing a scoring function based on interaction fingerprint for Autogrow4: protein kinase CK1δ as a case study
In the last twenty years, Fragment-Based Drug Discovery (FBDD) has become a popular and
consolidated approach within the drug-discovery pipeline, due to its ability to bring several …
consolidated approach within the drug-discovery pipeline, due to its ability to bring several …
Mechanism of interactions between soyasaponins and soybean 7S/11S proteins
G Zhao, L Zhu, P Yin, J Liu, Y Pan, S Wang, L Yang… - Food Chemistry, 2022 - Elsevier
In this study, the proteins glycinin (11S) and β-conglycinin (7S) were mixed with
soyasaponin (Ssa) Ab/Bb to form a composite system. We used fluorescence and …
soyasaponin (Ssa) Ab/Bb to form a composite system. We used fluorescence and …
Binding kinetics study of SARS-CoV-2 main protease and potential inhibitors via molecular dynamics simulations
The pandemic COVID-19 was induced by the novel coronavirus SARS-CoV-2. The virus
main protease (Mpro) cleaves the coronavirus polyprotein translated from the viral RNA in …
main protease (Mpro) cleaves the coronavirus polyprotein translated from the viral RNA in …
O-GlcNAcylation inhibits the oligomerization of alpha-synuclein by declining intermolecular hydrogen bonds through a steric effect
Toxic abnormal aggregation of α-synuclein (α-Syn) is a feature of Parkinson's disease.
Several biochemical and biophysical studies have demonstrated that many post …
Several biochemical and biophysical studies have demonstrated that many post …
[PDF][PDF] 耗散粒子动力学方法在生物学领域的应用与研究进展: 从蛋白质结构到细胞力学
唐梓涵， 李学进， 李德昌 - 科学通报, 2022 - researchgate.net
摘要耗散粒子动力学(dissipative particle dynamics, DPD) 是近年发展起来的一种介观尺度的
数值模拟方法, 是研究软物质和复杂流体动力学行为的一种重要手段. 这种新型介观模拟方法 …
数值模拟方法, 是研究软物质和复杂流体动力学行为的一种重要手段. 这种新型介观模拟方法 …
Envisaging the conformational space of proteins by coupling machine learning and molecular dynamics
M Aarthy, SK Singh - Advances in Protein Molecular and Structural Biology …, 2022 - Elsevier
Biological macromolecules possess the surface that generates the potential energy which
relates to the conformational space. The conformation of the protein depends on the unique …
relates to the conformational space. The conformation of the protein depends on the unique …
[HTML][HTML] Interactions of human islet amyloid polypeptide with lipid structure of different curvatures
Curvature is one of the most important features of lipid membranes in living cells, which
significantly influences the structure of lipid membranes and their interaction with proteins …
significantly influences the structure of lipid membranes and their interaction with proteins …
[PDF][PDF] 新冠病毒蛋白酶与抗病毒药物分子相互作用的分子模拟研究
吴徐伟， 李星宇， 李华， 李振海， 陈伟， 李德昌 - 应用数学和力学, 2021 - researchgate.net
该工作通过研究抗病毒药物与新冠病毒蛋白酶(Mpro) 的相互作用, 理解药物分子对Mpro
动力学的影响, 对Mpro 抑制剂的设计提供帮助. 采用分子对接方法获得了Mpro …
动力学的影响, 对Mpro 抑制剂的设计提供帮助. 采用分子对接方法获得了Mpro …
Competition between induced fit and conformational selection binding: how different flux-based approaches may help clarifying their interplay.
G Vauquelin, D Maes - bioRxiv, 2023 - biorxiv.org
Background: Binding kinetics has become a popular discipline in pharmacology. Yet, it was
recommended a decade ago to look on ligand-target binding in terms of fluxes instead of …
recommended a decade ago to look on ligand-target binding in terms of fluxes instead of …