Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1021/acs.jpcb.9b06173 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
On machine learnability of local contributions to interatomic potentials from density functional theory calculations.
Sci Rep
December 2024
Department of Physics, Shahid Beheshti University, Tehran, 1983969411, Iran.
Machine learning interatomic potentials, as a modern generation of classical force fields, take atomic environments as input and predict the corresponding atomic energies and forces. We challenge the commonly accepted assumption that the contribution of an atom can be learned from the short-range local environment of that atom. We employ density functional theory calculations to quantify the decay of the induced electron density and electrostatic potential in response to local perturbations throughout insulating, semiconducting and metallic samples of different dimensionalities.
View Article and Find Full Text PDFRole of in Filamentous Growth and Pathogenicity of .
J Fungi (Basel)
November 2024
Key Laboratory of Microbiological Metrology, Measurement & Bio-Product Quality Security, State Administration for Market Regulation, College of Life Sciences, China Jiliang University, Hangzhou 310018, China.
is a dimorphic fungus that specifically infects , causing stem swelling and the formation of an edible fleshy stem known as jiaobai. The pathogenicity of is closely associated with the development of jiaobai and phenotypic differentiation. Msb2 acts as a key upstream sensor in the MAPK (mitogen-activated protein kinase) signaling pathway, playing critical roles in fungal hyphal growth, osmotic regulation, maintenance of cell wall integrity, temperature adaptation, and pathogenicity.
View Article and Find Full Text PDFApplication of the Time-Domain Multichromophoric Fluorescence Resonant Energy Transfer Method in the NISE Programme.
J Chem Theory Comput
December 2024
Zernike Institute for Advanced Materials, University of Groningen, Nijenborgh 3, 9747 AG Groningen, The Netherlands.
We present the implementation of the time-domain multichromophoric fluorescence resonant energy transfer (TC-MCFRET) approach in the numerical integration of the Schrödinger equation (NISE) program. This method enables the efficient simulation of incoherent energy transfer between distinct segments within large and complex molecular systems, such as photosynthetic complexes. Our approach incorporates a segmentation protocol to divide these systems into manageable components and a modified thermal correction to ensure detailed balance.
View Article and Find Full Text PDFErratum: Embryonic temperature has long-term effects on muscle circRNA expression and somatic growth in Nile tilapia.
Front Cell Dev Biol
December 2024
[This corrects the article DOI: 10.3389/fcell.2024.
View Article and Find Full Text PDFWhy a Complementary Analytical Toolbox is Essential for Correct siRNA Duplex Content Determination.
J Pharm Sci
December 2024
Therapeutics Development & Supply, Janssen Research & Development, Beerse, Belgium.
Small interfering RNAs (siRNAs) have emerged as a highly promising class of therapeutics, capable of effectively treating a wide range of indications, including previously challenging targets. To correctly characterize the duplex content of siRNA therapeutics, a careful design of the analytical conditions is required. This is due to the weak interactions governing the duplex formation and thermal stability of these double-stranded oligonucleotides.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!