Cooperativity of Spin Crossover Complexes: Combining Periodic Density Functional Calculations and Monte Carlo Simulation. [PDF]
Kreutzburg L, Hübner CG, Paulsen H.
europepmc +1 more source
Taxanes are widely used chemotherapeutics whose effects on cellular mechanics remain poorly understood. We show that paclitaxel induces rapid cellular contraction by promoting GEF‐H1 dissociation from microtubules and non‐muscle myosin II activation through RhoA/ROCK.
Gloria Asensio‐Juárez +5 more
wiley +1 more source
Glyphosate Adsorption on Metal-Organic Framework M<sub>3</sub>(BTC)<sub>2</sub>: Mechanistic Insights and Descriptors for the Adsorption Energy from Density Functional Calculations. [PDF]
Putthabal A +5 more
europepmc +1 more source
Density Functional Calculations for Prediction of 57Fe Mössbauer Isomer Shifts and Quadrupole Splittings in β-Diketiminate Complexes. [PDF]
McWilliams SF +3 more
europepmc +1 more source
Isocitrate dehydrogenase 1 (IDH1) mutations are highly recurrent in multiple human cancer types, including cholangiocarcinoma and glioma. IDH1 R132C is the most common IDH1 mutation in cholangiocarcinoma and likely arises from APOBEC3A‐ or APOBEC3B‐mediated deamination.
Kelly E. Butler +3 more
wiley +1 more source
Selenium Adsorption on the (111), (100), (110) and (211) surfaces of Face-Centered-Cubic Metals: Density Functional Calculations of the Potential Energy Surfaces. [PDF]
Rivera RLA +13 more
europepmc +1 more source
Correction to "Density Functional Calculations for Prediction of 57Fe Mossbauer Isomer Shifts and Quadrupole Splittings in β-Diketiminate Complexes". [PDF]
McWilliams SF +3 more
europepmc +1 more source
The kinase SRPK1 directly interacts with the protein TOPBP1 and regulates the pre‐mRNA splicing of WIZ thereby contributing to the activation of the ATR/CHK1 replicative checkpoint in response to replicative stress. This allows cancer cells' genomic stability and survival.
Amani Shreim +17 more
wiley +1 more source
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
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Time‐resolved X‐ray solution scattering captures how proteins change shape in real time under near‐native conditions. This article presents a practical workflow for light‐triggered TR‐XSS experiments, from data collection to structural refinement. Using a calcium‐transporting membrane protein as an example, the approach can be broadly applied to study ...
Fatemeh Sabzian‐Molaei +3 more
wiley +1 more source

