Results 41 to 50 of about 1,015,340 (312)

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  

Homologous expression and purification of human HAX‐1 for structural studies

open access: yesFEBS Open Bio, EarlyView.
This research protocol provides detailed instructions for cloning, expressing, and purifying large quantities of the intrinsically disordered human HAX‐1 protein, N‐terminally fused to a cleavable superfolder GFP, from mammalian cells. HAX‐1 is predicted to undergo posttranslational modifications and to interact with membranes, various cellular ...
Mariana Grieben
wiley   +1 more source

MOLECULAR DYNAMICS SIMULATION OF COPOLYMERS

open access: yesTASK Quarterly, 2001
A series of representative Molecular Dynamics simulations of model Lennard-Jones copolymer chains is presented. We report measurements of thermodynamic, structural and dynamic properties of our model copolymers.
MICHAŁ BANASZAK
doaj  

Damage production in atomic displacement cascades in beryllium

open access: yesNuclear Materials and Energy, 2016
The paper presents the results of a molecular dynamics simulation of cascade damage production in beryllium caused by self-ion recoils in the energy range of 0.5–3keV.
V.A. Borodin, P.V. Vladimirov
doaj   +1 more source

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

Molecular determinants of signal transduction in tropomyosin receptor kinases

open access: yesFEBS Open Bio, EarlyView.
Tropomyosin receptor kinases control critical neuronal functions, but how do the same receptors produce diverse cellular responses? This review explores the structural mechanisms behind Trk signaling diversity, focusing on allosteric modulation and ligand bias.
Giray Enkavi
wiley   +1 more source

A comparative study of crack detection in nanobeams using molecular dynamics simulation, analytical formulations, and finite element method [PDF]

open access: green, 2021
Seyyed Sajad Mousavi Nejad Souq   +2 more
openalex   +1 more source

Navigating new norms: a systematic review of factors for the development of effective digital tools in higher education

open access: yesFEBS Open Bio, EarlyView.
What factors make for an effective digital learning tool in Higher Education? This systematic review identifies elements of a digital tool that published examples reveal to be features of an engaging and impactful digital tool. A systematic literature search yielded 25 research papers for analysis.
Akmal Arzeman   +4 more
wiley   +1 more source

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

Atomic dynamics of alumina melt: A molecular dynamics simulation study

open access: yesCondensed Matter Physics, 2008
The atomic dynamics of Al2O3 melt are studied by molecular dynamics simulation. The particle interactions are described by an advanced ionic interaction model that includes polarization effects and ionic shape deformations.
S.Jahn, P.A.Madden
doaj   +1 more source

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