Results 171 to 180 of about 6,717,903 (305)

Single‐molecule DNA flow‐stretch assays for high‐throughput DNA–protein interaction studies

FEBS Open Bio, EarlyView.
We describe an optimised single‐molecule DNA flow‐stretch assay that visualises DNA–protein interactions in real time. Linear DNA fragments are tethered to a surface and stretched by buffer flow for fluorescence imaging. Using λ and φX174 DNA, this protocol enhances reproducibility and accessibility, providing a versatile approach for studying diverse ...
Ayush Kumar Ganguli, Mohammad Nour Alsamsam, Ugnė Bagdonaitė, Van Truc Vu, Chun‐Jen Huang, Polina Kuzhir, Mindaugas Zaremba, Aurimas Kopūstas, Marijonas Tutkus   +8 more
wiley   +1 more source

Elucidating metal (Zr, Hf, Th, U)-hydride covalency using ¹H NMR chemical shifts and density functional calculations. [PDF]

Commun Chem
Kaumini MG, Yu X, Kelley SP, Autschbach J, Walensky JR.   +4 more
europepmc   +1 more source

Anomalous Lattice Dynamics in AgC₄N₃: Insights From Inelastic Neutron Scattering and Density Functional Calculations. [PDF]

Front Chem, 2018
Singh B, Gupta MK, Mittal R, Zbiri M, Hodgson SA, Goodwin AL, Schober H, Chaplot SL.   +7 more
europepmc   +1 more source

UiO‐66 metal–organic frameworks in biomedicine: From structural tunability to bioimaging, photodiagnostics, and photodynamic cancer therapy

FEBS Open Bio, EarlyView.
UiO‐66(Zr) metal–organic frameworks are chemically stable, biocompatible, and highly tunable nanomaterials. Their modular structure enables controlled drug delivery, multimodal bioimaging, and light‐activated photodynamic therapy, supporting integrated diagnostic and therapeutic (theranostic) applications in cancer and biomedical research.
Veronika Huntošová, Grigorii Rakhalskii, Miroslav Almáši   +2 more
wiley   +1 more source

From Two- to Three-Dimensional Structures of a Supertetrahedral Boran Using Density Functional Calculations. [PDF]

Angew Chem Int Ed Engl, 2017
Getmanskii IV, Minyaev RM, Steglenko DV, Koval VV, Zaitsev SA, Minkin VI.   +5 more
europepmc   +1 more source

Directed evolution of enzymes at the crossroads of tradition and innovation

FEBS Open Bio, EarlyView.
An iterative cycle of data‐driven enzyme optimization comprising four stages: genetic diversification of a template enzyme, expression of protein variants, high‐throughput evaluation, and machine‐learning‐guided redesign of the next variant library.
Maria Tomkova, Andrej Mirossay, Erik Sedlak   +2 more
wiley   +1 more source

Efficient Shift-and-Invert Preconditioning for Multi-GPU Accelerated Density Functional Calculations. [PDF]

J Chem Theory Comput
Woo J, Youn Kim W, Choi S.
europepmc   +1 more source

Cooperativity of Spin Crossover Complexes: Combining Periodic Density Functional Calculations and Monte Carlo Simulation. [PDF]

Materials (Basel), 2017
Kreutzburg L, Hübner CG, Paulsen H.
europepmc   +1 more source

Guiding AlphaFold to predict how Munc13‐1 opens Syntaxin‐1

FEBS Open Bio, EarlyView.
The syntaxin‐1 Habc‐domain (orange), linker (pink) and SNARE motif (yellow) form a closed conformation that binds to Munc18‐1 (violet) and is opened by the Munc13‐1 MUN domain (cyan) to form the SNARE complex that triggers neurotransmitter release.
Madhurima Chattopadhyay, Junjie Xu, Josep Rizo   +2 more
wiley   +1 more source

Glyphosate Adsorption on Metal-Organic Framework M₃(BTC)₂: Mechanistic Insights and Descriptors for the Adsorption Energy from Density Functional Calculations. [PDF]

ACS Omega
Putthabal A, Sukhonthachat S, Probst M, Thivasasith A, Limtrakul J, Maihom T.   +5 more
europepmc   +1 more source