Results 61 to 70 of about 17,737,336 (290)

ABL kinase‐dependent phosphorylation of SH proteins promotes their direct interaction with CRK family SH2 domains

FEBS Letters, EarlyView.
CT10 regulator of kinase (CRK) and CRK‐Like (CRKL) are signaling adaptors driving cell adhesion, motility, differentiation, and proliferation. SH2‐domain containing (SH) proteins are enriched in YXXP motifs which when phosphorylated create preferred binding sites for CRK family SH2 domains.
Phoebe M. Cousens, Brendan W. Chandler, Anna M. Schmoker, Jaye L. Weinert, Charlotte A. Kearns, Warren T. Yacawych, Amila Šemić, Alicia M. Ebert, Bryan A. Ballif   +8 more
wiley   +1 more source

On the processes of segregation and stability of bimetallic nanoparticles Ni@Ag and Ag@Ni

Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, 2022
This work studied bimetallic nanoparticles Ni@Ag and Ag@Ni with the total number of atoms 4000 by the molecular dynamics method using the tight-binding potential. The pattern of segregation and structural formation is established and its characteristics
K.G. Savina, I.R. Galuzin, A.Yu. Kolosov, S.S. Bogdanov, A.D. Veselov, N.Yu. Sdobnyakov   +5 more
doaj   +1 more source

Fluid simulations with atomistic resolution : a hybrid multiscale method with field-wise coupling [PDF]

, 2013
We present a new hybrid method for simulating dense fluid systems that exhibit multiscale behaviour, in particular, systems in which a Navier–Stokes model may not be valid in parts of the computational domain.
Reese, Jason M., Borg, Matthew K., Lockerby, Duncan A.   +2 more
core   +1 more source

Reconstructing enzyme evolution by protein engineering

FEBS Letters, EarlyView.
Natural enzyme evolution can be retraced by protein engineering methods such as directed evolution, rational design, and ancestral sequence reconstruction. These approaches reveal how enzymes emerged from ligand‐binding scaffolds, developed varying substrate preferences, formed oligomeric complexes, adapted to environmental changes, and evolved novel ...
Lukas Drexler, Markus R. Busch, Reinhard Sterner   +2 more
wiley   +1 more source

MOLECULAR DYNAMIC SIMULATION OF PEPTIDE POLYELECTROLYTES [PDF]

Научно-технический вестник информационных технологий, механики и оптики, 2014
The paper deals with investigation of the conformational properties of some charged homopolypeptides in dilute aqueous solutions by computer simulation.
I. M. Neelov, A. A. Mistonova, A. Y. Khvatov, V. V. Bezrodny   +3 more
doaj  

Exploring SIMD for molecular dynamics, using Intel Xeon processors and Intel Xeon Phi coprocessors [PDF]

, 2013
We analyse gather-scatter performance bottlenecks in molecular dynamics codes and the challenges that they pose for obtaining benefits from SIMD execution. This analysis informs a number of novel code-level and algorithmic improvements to Sandia's miniMD
Jarvis, S. A.; id_orcid, Simon J. Pennycook, Smelyanskiy, M., S.A. Jarvis, Pennycook, Simon J., Chris J. Hughes, M. Smelyanskiy, Hughes, C. J., Hughes, Chris J., Jarvis, Stephen A.   +9 more
core   +1 more source

Investigating transcription factor dynamics in health and disease using FRAP

FEBS Letters, EarlyView.
FRAP analysis of GFP‐tagged transcription factors reveals how molecular mobility and target engagement change in response to drug treatment. By combining live‐cell imaging, quantitative model fitting, and statistical analysis, this approach uncovers transcription factor dynamics linked to disease mechanisms, providing a powerful framework for ...
Kannan Govindaraj, Carolina Vazquez Garzon, Jose Joaquin Velasco, Janine N. Post   +3 more
wiley   +1 more source

Size effect in four-component Au-Cu-Pd-Pt nanoparticles and their stability

Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов
The four-component Au-Cu-Pd-Pt nanosystems of different sizes with the stoichiometric composition Au3CuPd12Pt4 were studied. The molecular dynamics method was used as a simulation method, the interatomic interaction was described by the tight-binding ...
A.Yu. Kolosov, S.A. Veresov, S.V. Serov, D.N. Sokolov, K.G. Savina, R.E. Grigoryev, N.Yu. Sdobnyakov   +6 more
doaj   +1 more source

Numerical methods for molecular dynamics [PDF]

, 1991
This report summarizes our research progress to date on the use of multigrid methods for three-dimensional elliptic partial differential equations, with particular emphasis on application to the Poisson-Boltzmann equation of molecular biophysics. This research is motivated by the need for fast and accurate numerical solution techniques for three ...
openaire   +2 more sources

Conserved binding mode but diverse interfaces of MreC‐PBP2 interactions

FEBS Letters, EarlyView.
The crystal structure of abMreC reveals a conserved two β‐barrel architecture and provides structural insights into its role within the bacterial elongasome. The abMreC–abPBP2 complex model identifies the molecular basis of MreC‐mediated PBP2 recognition, contributing to the regulation of peptidoglycan synthesis.
Hyunseok Jang, Hyo Been Jin, Chang Min Kim, So Yeon Lee, Hyun Ho Park   +4 more
wiley   +1 more source