Results 231 to 240 of about 21,513 (291)

Stabilization versus flexibility: Detergent‐dependent trade‐offs in neurotensin receptor 1 GPCR ensembles

Protein Science, Volume 35, Issue 2, February 2026.
Abstract Detergents provide essential membrane‐mimetic environments for studying G protein‐coupled receptors (GPCRs), but their molecular impact on receptor energetics remains incompletely understood. We combined ligand binding, thermostability measurements, and atomistic molecular dynamics to dissect detergent‐ versus ligand‐driven stabilization in a ...
James B. Bower, Wijnand J. C. van der Velden, Karen P. Gomez, Mingzhe Pan, Fabian Bumbak, Nagarajan Vaidehi, Joshua J. Ziarek   +6 more
wiley   +1 more source

Regulating Solvent Co‐Intercalation in Bi‐Layered Vanadium Oxides for Zinc Batteries by Nanoconfinement Chemistry

Angewandte Chemie, Volume 138, Issue 4, 22 January 2026.
The feasibility of regulating solvent co‐intercalation by electrode nanoconfinement design is demonstrated. Through decreasing interlayer hydration and introducing organic molecules with reduced lone electron‐pair density, the interlayer solvo‐philicity of bi‐layered vanadium oxides is tuned.
Haocheng Guo, Mohsen Sotoudeh, Sri Rezeki, Yang Hu, Robert Leiter, Julia Wellmann, Maximilian Fichtner, Martin Oschatz, Axel Groß, Simon Fleischmann   +9 more
wiley   +2 more sources

Molecular Dynamics Simulation Study of Polyvinylpyrrolidone as a Kinetic Inhibitor for Natural Gas Hydrates under Ultradeepwater Conditions. [PDF]

ACS Omega
He Z, Guan J, Wang J, Xu H.
europepmc   +1 more source

Évaluation d'une architecture de stockage RDF distribuée

, 2012
Maeva Antoine, Françoise Baudé, Fabrice Huet   +2 more
openalex   +1 more source

Chemically Accurate Prediction of CO2 Adsorption Thermodynamics in Metal–Organic Framework CALF‐20: Complementary Ab Initio Modeling and Grand Canonical Monte Carlo Simulations

Small Structures, Volume 7, Issue 2, February 2026.
Ab initio thermodynamics and GCMC simulations reveal a cooperative two‐step CO2 pore filling mechanism in CALF‐20. The study captures adsorption energetics and loading‐dependent structural changes, reproducing experimental isotherms with chemically accurate predictions.
Kaido Sillar, Sonja Grubišić, Ivana S. Đorđević, Majdi Hochlaf   +3 more
wiley   +1 more source

Functionalized MoS₂ nanosheets as high-affinity nanocarriers for gemcitabine: a molecular simulation study. [PDF]

Sci Rep
Najafi F, Farzad F.
europepmc   +1 more source

Effect of compost and chemical fertilizers on microbial biomass phosphorus. (T₁: control; T₂: 100% RDF; T₃: enriched compost; T₄: 100% RDF + enriched compost; T₅: 50% RDF + enriched compost). * The least significant difference test for separation of means indicates that means that are separated by the same letter are not significantly distinct at P = 0.05.

Dilkhush Meena (21473985), Murli Dhar Meena (18864501), Satendra Singh Sengar (21473988), Vidhya Nand Mishra (21473991), Anup Kumar (1391461), Mohan Lal Lakhera (21473994), Mohan Lal Dotaniya (9727737), Mukesh Kumar Meena (11287133), Sujith Kumar (21473997), Bheeru Lal Meena (18864513), Ram Swaroop Jat (18864504), Lalit Krishan Meena (21474000), Mukesh Prajapat (21474003), Hari Singh Meena (18864510), Avijit Ghosh (1428496), Vasudev Meena (14312365), Pramod Kumar Rai (18864516), Parvender Sheoran (14703865), Vijay Singh Meena (20564213)   +18 more
openalex   +1 more source

Ab Initio Molecular Dynamics Study of Quadrupolar Spin Relaxation in an Ionic Liquid

Journal of Computational Chemistry, Volume 47, Issue 3, 30 January 2026.
This study presents a methodology for describing the relaxation of nuclear spins (with I > 1/2), applicable to ionic liquids of a general nature. Based on ab initio molecular dynamics, we demonstrate the importance of explicit solvation in calculating the relaxation times of the quadrupolar mechanism.
Luciano N. Vidal, Lucas C. Ducati, Jochen Autschbach   +2 more
wiley   +1 more source

Molecular dynamics study of host-guest interactions between anticancer drugs and Cucurbit[8]uril nanocontainer. [PDF]

Sci Rep
Ahmadian N, Amininasab M, Mehrnejad F, Ebrahimzadeh MA.   +3 more
europepmc   +1 more source

Optimization of the Fermentation Process and Sensory Evaluation of Wild Loquat (<i>Uapaca kirkiana</i>) Fruit Wine. [PDF]

Int J Food Sci
Mutangadura TA, Manhokwe S, Jombo TZ, Mugadza DT.   +3 more
europepmc   +1 more source