Results 51 to 60 of about 602,983 (281)

Graphene-based tortional resonator from molecular dynamics simulation

open access: yes, 2011
Molecular dynamics simulations are performed to study graphene-based torsional mechanical resonators. The quality factor is calculated by $Q_{F}=\omega\tau/2\pi$, where the frequency $\omega$ and life time $\tau$ are obtained from the correlation ...
Jiang, Jin-Wu, Wang, Jian-Sheng
core   +1 more source

Establishment of a humanized patient‐derived xenograft mouse model of high‐grade serous ovarian cancer for preclinical evaluation of combination immunotherapy

open access: yesMolecular Oncology, EarlyView.
We have established a humanized orthotopic patient‐derived xenograft (Hu‐oPDX) mouse model of high‐grade serous ovarian cancer (HGSOC) that recapitulates human tumor–immune interactions. Using combined anti‐PD‐L1/anti‐CD73 immunotherapy, we demonstrate the model's improved biological relevance and enhanced translational value for preclinical ...
Luka Tandaric   +10 more
wiley   +1 more source

Molecular dynamics simulations

open access: yes, 2011
Peer ...
Skjaerven, Lars   +6 more
  +6 more sources

Digital quantum simulation of molecular dynamics and control

open access: yesPhysical Review Research, 2021
Optimally-shaped electromagnetic fields have the capacity to coherently control the dynamics of quantum systems and thus offer a promising means for controlling molecular transformations relevant to chemical, biological, and materials applications ...
Alicia B. Magann   +3 more
doaj   +1 more source

Quinoline- and Isoindoline-Integrated Polycyclic Compounds as Antioxidant, and Antidiabetic Agents Targeting the Dual Inhibition of α-Glycosidase and α-Amylase Enzymes

open access: yesPharmaceuticals, 2023
Novel analogs of quinoline and isoindoline containing various heterocycles, such as tetrazole, triazole, pyrazole, and pyridine, were synthesized and characterized using FT-IR, NMR, and mass spectroscopy, and their antioxidant and antidiabetic activities
Mohammed Al-Ghorbani   +3 more
doaj   +1 more source

Nonequilibrium molecular dynamics simulation of rapid directional solidification

open access: yes, 2000
We present the results of non-equilibrium molecular dynamics simulations for the growth of a solid binary alloy from its liquid phase. The regime of high pulling velocities, $V$, for which there is a progressive transition from solute segregation to ...
A. A. Wheeler   +25 more
core   +2 more sources

Automated FRAP microscopy for high‐throughput analysis of protein dynamics in chromatin organization and transcription

open access: yesFEBS Open Bio, EarlyView.
RoboMic is an automated confocal microscopy pipeline for high‐throughput functional imaging in living cells. Demonstrated with fluorescence recovery after photobleaching (FRAP), it integrates AI‐driven nuclear segmentation, ROI selection, bleaching, and analysis.
Selçuk Yavuz   +6 more
wiley   +1 more source

Insight into molecular dynamics simulation of BRAF(V600E) and potent novel inhibitors for malignant melanoma

open access: yesInternational Journal of Nanomedicine, 2015
Hsin-Chieh Tang,1 Yu-Chian Chen1–3 1Department of Biomedical Informatics, Asia University, Taichung, Taiwan; 2Human Genetic Center, Department of Medical Research, 3Research Center for Chinese Medicine and Acupuncture, China Medical University ...
Tang HC, Chen YC
doaj  

Nonadiabatic molecular dynamics simulation: An approach based on quantum measurement picture

open access: yes, 2014
Mixed-quantum-classical molecular dynamics simulation implies an effective measurement on the electronic states owing to continuously tracking the atomic forces.Based on this insight, we propose a quantum trajectory mean-field approach for nonadiabatic ...
Fang, Weihai   +4 more
core   +3 more sources

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

open access: yesFEBS 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

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