Results 61 to 70 of about 153,560 (299)

Organoids in pediatric cancer research

FEBS Letters, EarlyView.
Organoid technology has revolutionized cancer research, yet its application in pediatric oncology remains limited. Recent advances have enabled the development of pediatric tumor organoids, offering new insights into disease biology, treatment response, and interactions with the tumor microenvironment.
Carla Ríos Arceo, Jarno Drost
wiley   +1 more source

Warm and Cold Denaturation in the Phase Diagram of a Protein Lattice Model

, 2001
Studying the properties of the solvent around proteins, we propose a much more sophisticated model of solvation than temperature-independent pairwise interactions between monomers, as is used commonly in lattice representations.
Brooks C. L. III, De Los Rios P., Kauzmann W., O Collet, Premilat S., Privalov P.   +5 more
core   +1 more source

Spatiotemporal and quantitative analyses of phosphoinositides – fluorescent probe—and mass spectrometry‐based approaches

FEBS Letters, EarlyView.
Fluorescent probes allow dynamic visualization of phosphoinositides in living cells (left), whereas mass spectrometry provides high‐sensitivity, isomer‐resolved quantitation (right). Their synergistic use captures complementary aspects of lipid signaling. This review illustrates how these approaches reveal the spatiotemporal regulation and quantitative
Hiroaki Kajiho, Shin Morioka, Junko Sasaki, Takehiko Sasaki   +3 more
wiley   +1 more source

O(N) continuous electrostatics solvation energies calculation method for biomolecules simulations

, 2009
We report a development of a new fast surface-based method for numerical calculations of solvation energy of biomolecules with a large number of charged groups.
Baker, Bardhan, Bardhan, Barone, Bashford, Beckers, Bordner, Born, Boschitsch, Boschitsch, Cai, Chipman, Connolly, Cramer, De Leeuw, Essmann, Fedichev, Feig, Frigo, Gallicchio, Ghosh, Gilson, Greengard, Grycuk, Hassan, Horvath, Joce, Kirkwood, Klamt, Klamt, Klamt, Lee, Lee, Lee, Mongan, Okimoto, Onufriev, Rapaport, Rashin, Richards, Romanov, Sagui, Scalmani, Schaefer, Schlick, Schäfer, Sigalov, Simonson, Smith, Still, Stratton, Tjong, Tomasi, Toukmaji, Tsui, Vorobjev, Wang, Westbrook, Zhou, Åqvist   +59 more
core   +1 more source

In situ molecular organization and heterogeneity of the Legionella Dot/Icm T4SS

FEBS Letters, EarlyView.
We present a nearly complete in situ model of the Legionella Dot/Icm type IV secretion system, revealing its central secretion channel and identifying new components. Using cryo‐electron tomography with AI‐based modeling, our work highlights the structure, variability, and mechanism of this complex nanomachine, advancing understanding of bacterial ...
Przemysław Dutka, Yuxi Liu, Stefano Maggi, Debnath Ghosal, Jue Wang, Prashant P. Damke, Stephen D. Carter, Wei Zhao, Sukhithasri Vijayrajratnam, Joseph P. Vogel, Carrie L. Shaffer, Grant J. Jensen   +11 more
wiley   +1 more source

Solvation Enthalpies and Free Energies for Organic Solvents through a Dense Neural Network: A Generalized-Born Approach

Liquids
A dense artificial neural network, ESE-ΔH-DNN, with two hidden layers for calculating both solvation free energies ΔG°solv and enthalpies ΔH°solv for neutral solutes in organic solvents is proposed.
Sergei F. Vyboishchikov
doaj   +1 more source

Treatment of the interaction between polymers and liquids in terms of the linear free energies concept

Condensed Matter Physics, 2005
The existing theories of interaction between polymers and liquids dont reveal satisfactory relation between liquid physico-chemical properties and the degree of swelling of polymer in polymer-liquid system. We suggested the linear sixparametric equation,
I.Yevchuk, R.Makitra, R.Musiy
doaj   +1 more source

Identifying Systematic Force Field Errors Using a 3D-RISM Element Counting Correction

Molecules, 2023
Hydration free energies of small molecules are commonly used as benchmarks for solvation models. However, errors in predicting hydration free energies are partially due to the force fields used and not just the solvation model.
Lizet Casillas, Vahe M. Grigorian, Tyler Luchko   +2 more
doaj   +1 more source

Solvation Entropy Made Simple

, 2019
The entropies of molecules in solution are routinely calculated using gas phase formulae. It is assumed that, because implicit solvation models are fitted to reproduce free energies, this is sufficient for modeling reactions in solution.
Garza, Alejandro J.
core   +2 more sources

On the Stabilizing Action of Protein Denaturants: Acetonitrile Effect on Stability of Lysozyme in Aqueous Solutions [PDF]

, 2000
Stability of hen lysozyme in the presence of acetonitrile (MeCN) at different pH values of the medium was studied by scanning microcalorimetry with a special emphasis on determination of reliable values of the denaturational heat capacity change.
Kovriguine, Evgueni, Potekhin, Sergey A.
core   +2 more sources