Results 171 to 180 of about 1,037,789 (311)

PRGNet: a Parallel Residual Graph Network for enhanced drug-target binding affinity prediction. [PDF]

BMC Genomics
Liu J, Mehmood A, Liu H, Liu Y, Wei D, Li D.   +5 more
europepmc   +1 more source

Rationally Designed Bilayer Passivation Strategy for High‐Performance Vacuum‐Processed Perovskite Solar Cells

Advanced Functional Materials, EarlyView.
A bilayer “Anchor‐and‐Seal” passivation strategy using EDAI2 and 4MeO‐PEAI effectively mitigates surface defects in vacuum‐processed perovskite films through synergistic hydrogen bonding and Lewis base coordination. This approach optimizes interfacial energy alignment and suppresses non‐radiative recombination, enabling vacuum‐deposited p‐i‐n ...
Mohammadhossein Kohan, Sang‐Heon Lee, Jaswinder Singh, Sung‐Nam Kwon, Seok‐In Na   +4 more
wiley   +1 more source

Pocket-Surface Discrete Differential Geometry as a Leakage-Robust Feature Class for Protein-Ligand Binding Affinity Prediction. [PDF]

Molecules
Balcı MA, Çetin E, Calibasi-Kocal G, Akgüller Ö.   +3 more
europepmc   +1 more source

Exploring an Alternative to mRNA Vaccine Cold Chain Storage: MRNA‐Lipid Nanoparticle Stability When Dried in a Polymer Matrix

Advanced Functional Materials, EarlyView.
The nanostructure, size, and function of mRNA‐loaded lipid nanoparticles are evaluated before drying, within polymer microneedles, and after rehydration. The results reveal the polymer and LNP loadings required to recover nanostructure and preserve the delivery performance in dry‐state formulations.
Brendan P. Dyett, Shahad K. Alsaiari, John L. Daristotle, Timothy A. Forster, Alicia Lau, Dhruv Varshney, Rania Afaneh, Andrew R. Hanna, Charles Sloane, David Mankus, Haitao Yu, Jiali Zhai, DongSoo Yun, Lisa H. Tostanoski, Abigail Lytton‐Jean, Dan H. Barouch, Charlotte E. Conn, Robert Langer, Ana Jaklenec, Calum J. Drummond   +19 more
wiley   +1 more source

Explainable Artificial Intelligence (xAI) for 5-HT_2A Receptor Binding Affinity of New Psychoactive Substances. [PDF]

Molecules
Schöning V, Grafinger KE, Pasin D, Stove CP, Weinmann W, Hammann F.   +5 more
europepmc   +1 more source

Predicting RNA–protein binding affinity [PDF]

Nature Methods, 2019
openaire   +2 more sources

Interfacial Adsorption Engineering Enables a Highly Utilized Zinc Anode With 99.9% Coulombic Efficiency

Advanced Functional Materials, EarlyView.
When hydrated zinc ions are deposited onto Cu substrates at practical current densities, the modified Cu enables simultaneously compact zinc growth and suppressed hydrogen evolution. This regulatory effect originates from the superior adsorption of the modified Cu interface, which enhances zincophilicity and the hydrogen desorption barrier, thereby ...
Zhe Zhu, Xiaoqiao Liao, Yihao Long, Mengmeng Yang, Ibrahem O. Baibars, Ruiqi Song, Zhun Shi, Liang He, Chuan Zhao   +8 more
wiley   +1 more source

Enhancement in Ct-DNA binding affinity and antimicrobial activity of ZnO nanoparticles via Ag-doping. [PDF]

Discov Nano
Almadhhi SS, Kumar A, Ubaidullah M, Al-Enizi AM.   +3 more
europepmc   +1 more source

Exciton Binding Energy of Phosphorescent Emitter Molecules in Organic Light‐Emitting Diodes

Advanced Functional Materials, EarlyView.
Energy level alignment is key to efficient OLED design, yet determining LUMO energies remains challenging. A methodology based on field‐induced dissociation and kinetic Monte Carlo simulations is presented to extract LUMO energies of iridium‐based phosphorescent emitters from their exciton binding energy.
Hiroki Tomita, Lucas R. L. Norg, Patrick Diederen, Clint van Hoesel, Christ H. L. Weijtens, Peter A. Bobbert, Reinder Coehoorn   +6 more
wiley   +1 more source

A multiscale, Bayesian inference approach to augment mechanistic models of cell signaling with machine-learning predictions of binding affinity. [PDF]

PLoS Comput Biol
Huber HA, Finley SD.
europepmc   +1 more source