Results 151 to 160 of about 4,091,521 (342)

Graph-theoretic and computational analysis of QSAR molecular descriptors for single chain diamond silicates

Discover Chemistry
This study presents a comprehensive graph-theoretic and computational analysis of Quantitative Structure–Activity Relationship (QSAR) molecular descriptors for Single Chain Diamond Silicates (CSn), a crucial class of silicate structures defined by their ...
S. Mohankumar, P. Sivakumar, S. Priyatharshni   +2 more
doaj   +1 more source

Metal-Free Molecular Catalysts for the Oxygen Reduction Reaction: Electron Affinity as an Activity Descriptor

, 2023
Christopher Ehlert, Anna Piras, Juliette Schleicher, Ganna Gryn’ova   +3 more
openalex   +2 more sources

Cell wall target fragment discovery using a low‐cost, minimal fragment library

FEBS Letters, EarlyView.
LoCoFrag100 is a fragment library made up of 100 different compounds. Similarity between the fragments is minimized and 10 different fragments are mixed into a single cocktail, which is soaked to protein crystals. These crystals are analysed by X‐ray crystallography, revealing the binding modes of the bound fragment ligands.
Kaizhou Yan, Mathew Stanley, Olawale Raimi, Andrew T. Ferenbach, Helge C Dorfmueller, Daan M. F. van Aalten   +5 more
wiley   +1 more source

Cell density–dependent nuclear‐cytoplasmic shuttling of SETDB1 integrates with Hippo signaling to regulate YAP1‐mediated transcription

FEBS Letters, EarlyView.
At low cell density, SETDB1 and YAP1 accumulate in the nucleus. As cell density increases, the Hippo pathway is gradually activated, and SETDB1 is associated with increased YAP1 phosphorylation. At high cell density, phosphorylated YAP1 is sequestered in the cytoplasm, while SETDB1 becomes polyubiquitinated and degraded by the ubiquitin–proteasome ...
Jaemin Eom, Jaewoong Jang, Jung Sun Park, Yong‐Kook Kang   +3 more
wiley   +1 more source

Author Correction: A novel perspective for M-polynomials to compute molecular descriptors of borophene nanosheet. [PDF]

Sci Rep, 2023
Ismail R, Baby A, Xavier DA, Varghese ES, Ghani MU, Nair AT, Karamti H.   +6 more
europepmc   +1 more source

Harnessing Shannon entropy-based descriptors in machine learning models to enhance the prediction accuracy of molecular properties [PDF]

, 2023
Rajarshi Guha, Darrell Velegol
openalex   +1 more source

Inhibiting stearoyl‐CoA desaturase suppresses bone metastatic prostate cancer by modulating cellular stress, mTOR signaling, and DNA damage response

FEBS Letters, EarlyView.
Bone metastasis in prostate cancer (PCa) patients is a clinical hurdle due to the poor understanding of the supportive bone microenvironment. Here, we identify stearoyl‐CoA desaturase (SCD) as a tumor‐promoting enzyme and potential therapeutic target in bone metastatic PCa.
Alexis Wilson, Mackenzie K Herroon, Shane Mecca, Laimar C Garmo, Jacob Lindquist, Shrila Rajendran, Steve M. Patrick, Izabela Podgorski   +7 more
wiley   +1 more source

A Classification-Based Blood–Brain Barrier Model: A Comparative Approach

Pharmaceuticals
Background and Objectives: Drug permeability across the blood–brain barrier (BBB) remains a significant challenge in drug discovery, prompting extensive efforts to develop in silico predictive models. Most existing models rely on molecular descriptors to
Ralph Saber, Sandy Rihana
doaj   +1 more source

Comparative Study of Molecular Descriptors of Pent-Heptagonal Nanostructures Using Neighborhood M-Polynomial Approach. [PDF]

Molecules, 2023
Xavier DA, Ghani MU, Imran M, Nair A T, Varghese ES, Baby A.   +5 more
europepmc   +1 more source

Characterization of Mungbean (Vigna radiata L. Wilczek) Varieties using Morphological and Molecular Descriptors [PDF]

, 2017
Rupinder Kaur, A. K. Toor, Geeta Bassi, T. S. Bains   +3 more
openalex   +1 more source