Results 141 to 150 of about 8,193,792 (388)

Chasing weakly-bound biological water in aqueous environment near the peptide backbone by ultrafast 2D infrared spectroscopy

Communications Chemistry
There has been a long-standing debate as to how many hydrogen bonds a peptide backbone amide can form in aqueous solution. Hydrogen-bonding structural dynamics of N-ethylpropionamide (a β-peptide model) in water was examined using infrared (IR ...
Juan Zhao, Pengyun Yu, Tiantian Dong, Yanzhou Wu, Fan Yang, Jianping Wang   +5 more
doaj   +1 more source

Martini 3: a general purpose force field for coarse-grained molecular dynamics

Nature Methods, 2021
Paulo C. T. Souza, Riccardo Alessandri, J. Barnoud, S. Thallmair, I. Faustino, F. Grünewald, Ilias Patmanidis, H. Abdizadeh, Bart M. H. Bruininks, T. Wassenaar, Peter C. Kroon, Josef Melcr, Vincent Nieto, V. Corradi, H. Khan, J. Domanski, M. Javanainen, H. Martinez-Seara, N. Reuter, R. Best, I. Vattulainen, L. Monticelli, X. Periole, D. Tieleman, A. H. de Vries, S. Marrink   +25 more
semanticscholar   +1 more source

Optimal Prediction in Molecular Dynamics [PDF]

Monte Carlo Methods and Applications, 2004
22 pages, 10 ...
openaire   +4 more sources

Escape from TGF‐β‐induced senescence promotes aggressive hallmarks in epithelial hepatocellular carcinoma cells

Molecular Oncology, EarlyView.
Chronic TGF‐β exposure drives epithelial HCC cells from a senescent state to a TGF‐β resistant mesenchymal phenotype. This transition is characterized by the loss of Smad3‐mediated signaling, escape from senescence, enhanced invasiveness and metastatic potential, and upregulation of key resistance modulators such as MARK1 and GRM8, ultimately promoting
Minenur Kalyoncu, Dilara Demirci, Sude Eris, Bengisu Dayanc, Ece Cakiroglu, Merve Basol, Merve Uysal, Gulcin Cakan‐Akdogan, Fang Liu, Mehmet Ozturk, Gökhan Karakülah, Serif Senturk   +11 more
wiley   +1 more source

A cage effect in collision-induced light absorption from a molecular dynamics calculation [PDF]

, 1974
John Courtenay Lewis, J. A. Tjon
openalex   +1 more source

Targeting the AKT/mTOR pathway attenuates the metastatic potential of colorectal carcinoma circulating tumor cells in a murine xenotransplantation model

Molecular Oncology, EarlyView.
Dual targeting of AKT and mTOR using MK2206 and RAD001 reduces tumor burden in an intracardiac colon cancer circulating tumor cell xenotransplantation model. Analysis of AKT isoform‐specific knockdowns in CTC‐MCC‐41 reveals differentially regulated proteins and phospho‐proteins by liquid chromatography coupled mass spectrometry. Circulating tumor cells
Daniel J. Smit, Thais Pereira‐Veiga, Helena Brauer, Michael Horn, Paula Nissen, Thomas Mair, Bente Siebels, Hannah Voß, Ruimeng Zhuang, Marie‐Therese Haider, Desiree Loreth, Margarita Iskhakova, Bele Lindemann, Julian Kött, Laure Cayrefourcq, Jasmin Wellbrock, Hartmut Schlüter, Klaus Pantel, Catherine Alix‐Panabières, Manfred Jücker   +19 more
wiley   +1 more source

Utility of a commercial antibody against NTRK1 for western blotting and potential application to immunohistochemistry in adult mouse brain

Scientific Reports
Ntrk1 (also known as TrkA) is a nerve growth factor receptor with essential roles in the development and function of the cholinergic nervous system. Ntrk1 is expressed in a few specific and defined brain areas.
Kazuo Nakajima, Mizuho Ishiwata, Tadafumi Kato   +2 more
doaj   +1 more source

Molecular Dynamics Studies on the Soft-Core Model [PDF]

, 1974
Y. Hiwatari, H. Matsuda, Takuya Ogawa, N. Ogita, A. Ueda   +4 more
openalex   +1 more source

MET and NF2 alterations confer primary and early resistance to first‐line alectinib treatment in ALK‐positive non‐small‐cell lung cancer

Molecular Oncology, EarlyView.
Alectinib resistance in ALK+ NSCLC depends on treatment sequence and EML4‐ALK variants. Variant 1 exhibited off‐target resistance after first‐line treatment, while variant 3 and later lines favored on‐target mutations. Early resistance involved off‐target alterations, like MET and NF2, while on‐target mutations emerged with prolonged therapy.
Jie Hu, Ning Ding, Xiaobo Xu, Yedan Chen, Yong Zhang, Jingwen Liu, Jiebai Zhou, Hairong Bao, Donghui Zhang, Yijun Song, Yang Shao, Yuanlin Song   +11 more
wiley   +1 more source

A Molecular Dynamics Study of Aqueous Solutions I. First Results for LiCl in H₂O [PDF]

, 1974
K. Heinzinger, Pierre Vogel
openalex   +1 more source