Results 81 to 90 of about 17,737,336 (290)

Structural Features of Reverse AOT Micelles in Water/Cyclohexane: Molecular Dynamics Study

East European Journal of Physics
A study of the structural features of reverse micelles of Na AOT (sodium bis(2-ethylhexyl) sulfosuccinate) molecules in cyclohexane with an aqueous core was carried out using the molecular dynamics method.
Dilbar Bozorova, Shukur Gofurov, Mavlonbek Ziyaev, Oksana Ismailova   +3 more
doaj   +1 more source

Partial depletion of plasminogen activator inhibitor‐1 decreases subcutaneous fat cell hypertrophy and liver cholesterol in high‐fat‐fed female mice

FEBS Letters, EarlyView.
Obesity raises blood levels of PAI‐1, a protein linked to metabolic dysfunction‐associated steatotic liver disease in people with obesity. In female mice fed a high‐fat diet, partially lowering PAI‐1 led to smaller subcutaneous fat cells and lower liver cholesterol, without changing body weight or insulin sensitivity.
Claudia E. Ramirez Bustamante, Robert Sharp, Pradip K. Saha, Elizabeth S. Anaya, Elizabeth L. Lieu, Evelyn L. de Groot, Pooja Patel, Mi Jeong Heo, Aaron R. Cox, Kang Ho Kim, Sean M. Hartig   +10 more
wiley   +1 more source

PGK1: A Common Biomarker and Therapeutic Target Linking Sarcopenia and Osteoporosis Through Fibroblast‐Mediated Pathways

IET Systems Biology
Sarcopenia and osteoporosis share pathophysiological links, but their co‐occurrence mechanisms remain unclear. This study aimed to identify molecular mediators of their co‐development using bioinformatics.
Kun Zhang, Hailong Li, Xinhong Chen, Ping Tang, Meng Wang, Chunting Yang, Rong Su, Xiaqin Gao, Fan Zhang, Juan Han   +9 more
doaj   +1 more source

Energy barrier for configurational transformation of graphene nanoribbon on nanotube

Theoretical and Applied Mechanics Letters, 2014
A graphene nanoribbon (GNR) has two basic configurations when winding on the outer surface of a carbon nanotube (CNT): helix and scroll. Here the transformation between the two configurations is studied utilizing molecular dynamics simulations.
Qifang Yin, Xinghua Shi
doaj   +1 more source

Ligand‐dependent transcriptional heterogeneity in cell cycle gene expression delays G1/S entry

FEBS Letters, EarlyView.
EGF and HRG induce distinct G1/S progression programs in ErbB2‐amplified BT474 breast cancer cells. Despite activating the potent ErbB2–ErbB3 heterodimer, HRG does not accelerate cell‐cycle entry. Instead, EGF promotes earlier restriction‐point passage via ERK–FOS signaling, whereas HRG activates the AKT–MYC axis, driving transcriptional heterogeneity ...
Ririn Rahmala Febri, Ayaka Nagasato‐Ichikawa, Keita Iida, Shuhei Kimura, Akira Imamoto, Mariko Okada   +5 more
wiley   +1 more source

Chromophore arrangement in light-harvesting complex II influenced by the protein dynamics on the microsecond time scale [PDF]

, 2019
Coarse-grained molecular dynamics simulations of light-harvesting complex II in thylakoid membrane reveal its microsecond dynamics. We analyze the fluctuations of the relative chromophore orientations which set the stage for the energy ...
Thallmair, Sebastian, Marrink, Siewert; id_orcid, Siewert J. Marrink, Marrink, Siewert, Sebastian Thallmair   +4 more
core   +2 more sources

Emerging experimental and computational methods for studying redox‐regulated structural transitions

FEBS Letters, EarlyView.
Redox reactions can reshape proteins and alter how they behave in cells, with important consequences for health and disease. This review explores emerging experimental and computational approaches for discovering these redox‐sensitive protein switches, revealing their structural effects, and predicting their behavior, opening new opportunities to ...
Tasneem Rass, Dana Reichmann, Gábor Erdős   +2 more
wiley   +1 more source

Multiscale simulation of coupled length-scales via meshless method and molecular dynamics

, 2009
A novel numerical approach employing a meshless technique with molecular dynamics is proposed for coupled length-scale simulations spanning continuum to atomistic regions.
Li, Hua, Wang, Q. X., Lam, K. Y., Ng, T. Y.   +3 more
core   +1 more source

Synergistic perspectives—How single‐molecule biophysics complement biochemical understanding

FEBS Letters, EarlyView.
In this review, we discuss how ensemble biochemistry and single‐molecule approaches are complementary, outline commonly used single‐molecule techniques, and illustrate their relevance through two representative case studies: chromatin organization by SMC complexes and pathway choice during DNA double‐strand break repair.
Sara De Bragança, Eline L. Jansen, Jorine M. Eeftens   +2 more
wiley   +1 more source

An integrated approach to studying the structure of ternary CoCrMo alloy: scanning electron microscopy and atomistic simulation

Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов
A comparative study combining the experimental technique of scanning electron microscopy and atomistic simulation by (molecular dynamics) was carried out using of the ternary CoCrMo nanoalloy as an example.
D.A. Kravchenko, A.Yu. Kolosov, D.N. Sokolov, N.I. Nepsha, S.S. Bogdanov, N.Yu. Sdobnyakov   +5 more
doaj   +1 more source