Results 51 to 60 of about 1,015,340 (312)

Polarization‐resolved femtosecond Vis/IR spectroscopy tailored for resolving weak signals in biological samples using minimal sample volume

FEBS Open Bio, EarlyView.
Unique biological samples, such as site‐specific mutant proteins, are available only in limited quantities. Here, we present a polarization‐resolved transient infrared spectroscopy setup with referencing to improve signal‐to‐noise tailored towards tracing small signals. We provide an overview of characterizing the excitation conditions for polarization‐
Clark Zahn, Karsten Heyne
wiley   +1 more source

Molecular Dynamics Simulation of Biomolecular Systems

CHIMIA, 2001
The group for computer-aided chemistry at the ETH Zürich focuses its research on the development of methodology to simulate the behavior of biomolecular systems and the use of simulation techniques to analyze and understand biomolecular ...
Wilfred van Gunsteren, Thereza Soares, Lukas Schuler, Jed Pitera, Christine Peter, Chris Oostenbrink, Tomas Hansson, Alice Glättli, Peter Gee, Xavier Daura, Markus Christen, Indira Chandrasekhar, Roland Bürgi, Dirk Bakowies, Haibo Yu   +14 more
doaj  

Molecular Dynamics Simulation of Serotonin Transport Protein Complex with 6-Hydroxy-1-Methyl-1,2,3,4-Tetrahydro-β-Carboline Ligand from Chocolate (Theobroma cacao L.) Isolate [PDF]

, 2023
Farach Khanifah, Enade Perdana Istyastono   +1 more
openalex   +1 more source

The role of lipid metabolism in neuronal senescence

FEBS Open Bio, EarlyView.
Disrupted lipid metabolism, through alterations in lipid species or lipid droplet accumulation, can drive neuronal senescence. However, lipid dyshomeostasis can also occur alongside neuronal senescence, further amplifying tissue damage. Delineating how lipid‐induced senescence emerges in neurons and glial cells, and how it contributes to ageing and ...
Dikaia Tsagkari, Eleftheria Panagiotidou, Nektarios Tavernarakis   +2 more
wiley   +1 more source

Computational Explorations in Biomedicine: Unraveling Molecular Dynamics for Cancer, Drug Delivery, and Biomolecular Insights using LAMMPS Simulations [PDF]

, 2023
Reza Bozorgpour
openalex   +1 more source

OpenMM 7: Rapid development of high performance algorithms for molecular dynamics

bioRxiv, 2016
OpenMM is a molecular dynamics simulation toolkit with a unique focus on extensibility. It allows users to easily add new features, including forces with novel functional forms, new integration algorithms, and new simulation protocols.
P. Eastman, Jason M. Swails, J. Chodera, R. McGibbon, Yutong Zhao, Kyle A. Beauchamp, Lee‐Ping Wang, Andrew C. Simmonett, M. Harrigan, Chaya D. Stern, Rafal P. Wiewiora, B. Brooks, V. Pande   +12 more
semanticscholar   +1 more source

Decreased Serum 5‐HT: Clinical Correlates and Regulatory Role in NMJ of MG

Annals of Clinical and Translational Neurology, EarlyView.
ABSTRACT Objective Although 5‐Hydroxytryptamine (5‐HT) indirectly stimulates muscle contraction and participates in regulating Acetylcholine receptor (AChR) cluster homeostasis in cellular, animal, and clinical studies, evidence regarding its potential to modulate muscle contraction in myasthenia gravis (MG) remains limited.
Xinru Shen, Jing Zhang, Xinyue Zhou, Xiaoxiao Yu, Haodong Shang, Shufan Chen, Lulu Zhen, Jinru Wu, Guanlian Hu, Xiaoyan Zhu, Zhan Sun, Yiren Wang, Jiahui Wang, Jie Lv, Xue Zhao, Yingna Zhang, Wei Guo, Ying Peng, Feng Gao   +18 more
wiley   +1 more source

Persistent Leukoencephalopathy Following H1N1 Infection Associated With a Novel MYRF Variant (p.Gly735Asp)

Annals of Clinical and Translational Neurology, EarlyView.
ABSTRACT Mutations in myelin regulatory factor (MYRF) are linked to demyelinating disorders. We report a 38‐year‐old male who developed acute symmetric leukoencephalopathy mimicking a stroke following an influenza A virus infection. While clinical symptoms markedly improved with corticosteroids, MRI revealed persistent white matter lesions, contrasting
Jinghan Hu, Leiyun Huang, Wan Zhu, Min Peng, Qiang Gong, Jing Qian   +5 more
wiley   +1 more source

A review of the flow characteristics of shale oil and the microscopic mechanism of CO2 flooding by molecular dynamics simulation

Frontiers in Earth Science
Shale oil is stored in nanoscale shale reservoirs. To explore enhanced recovery, it is essential to characterize the flow of hydrocarbons in nanopores.
Xinmiao Huang, Xinjing Yu, Xiao Li, Haopei Wei, Denglin Han, Wei Lin   +5 more
doaj   +1 more source

Molecular Dynamics Simulation

Mechanics of Particle‐ and Fiber‐Reinforced Polymer Nanocomposites, 2014
Theory I: Solving Newtons Laws for collection of particles ........................................................ 1 Figure 1: Diagram defining particle-particle interaction variables. ................................................
G. Ciccotti, M. Ferrario, Christof Schuette   +2 more
semanticscholar   +1 more source