AIMC Topic: Solvents

Clear Filters Showing 121 to 130 of 146 articles

Multiple sequence alignment-based RNA language model and its application to structural inference.

Nucleic acids research Jan 11, 2024
Compared with proteins, DNA and RNA are more difficult languages to interpret because four-letter coded DNA/RNA sequences have less information content than 20-letter coded protein sequences. While BERT (Bidirectional Encoder Representations from Tra...
Machine Learning RNA Solvents Sequence Alignment Proteins DNA
View on PubMed DOI

Solubility of dapsone in deep eutectic solvents: Experimental analysis, molecular insights and machine learning predictions.

Polimery w medycynie Jan 1, 2024
BACKGROUND: Dapsone (DAP) is an anti-inflammatory and antimicrobial active pharmaceutical ingredient used to treat, e.g., AIDS-related diseases. However, low solubility is a feature hampering its efficient use.
Thermodynamics Deep Eutectic Solvents Machine Learning Solubility Solvents Dapsone
View on PubMed DOI

NetSurfP-3.0: accurate and fast prediction of protein structural features by protein language models and deep learning.

Nucleic acids research Jul 5, 2022
Recent advances in machine learning and natural language processing have made it possible to profoundly advance our ability to accurately predict protein structures and their functions. While such improvements are significantly impacting the fields o...
Computers Deep Learning Time Factors Software Solvents Datasets as Topic Protein Structure, Secondary Internet Amino Acid Sequence Proteins Natural Language Processing
View on PubMed DOI

Assessing the persistence of chalcogen bonds in solution with neural network potentials.

The Journal of chemical physics Apr 21, 2022
Non-covalent bonding patterns are commonly harvested as a design principle in the field of catalysis, supramolecular chemistry, and functional materials to name a few. Yet, their computational description generally neglects finite temperature and env...
Neural Networks, Computer Solvents Anions
View on PubMed DOI

AutoSolvate: A toolkit for automating quantum chemistry design and discovery of solvated molecules.

The Journal of chemical physics Mar 28, 2022
The availability of large, high-quality datasets is crucial for artificial intelligence design and discovery in chemistry. Despite the essential roles of solvents in chemistry, the rapid computational dataset generation of solution-phase molecular pr...
Software Computer Simulation Solvents Artificial Intelligence Machine Learning
View on PubMed DOI

SSpro/ACCpro 6: almost perfect prediction of protein secondary structure and relative solvent accessibility using profiles, deep learning and structural similarity.

Bioinformatics (Oxford, England) Mar 28, 2022
MOTIVATION: Accurately predicting protein secondary structure and relative solvent accessibility is important for the study of protein evolution, structure and an early-stage component of typical protein 3D structure prediction pipelines.
Protein Structure, Secondary Proteins Solvents Software Deep Learning
View on PubMed DOI

Comparison of predictions of developmental toxicity for compounds of solvent data set.

SAR and QSAR in environmental research Jan 1, 2022
We have considered a series of 235 compounds technically classified as solvents. Chemically, they belong to different classes. Their potential developmental toxicity was evaluated using two models available on platform VEGA HUB; model CAESAR and the ...
Solvents Quantitative Structure-Activity Relationship Neural Networks, Computer
View on PubMed DOI

Precise estimation of residue relative solvent accessible area from Cα atom distance matrix using a deep learning method.

Bioinformatics (Oxford, England) Dec 22, 2021
MOTIVATION: The solvent accessible surface is an essential structural property measure related to the protein structure and protein function. Relative solvent accessible area (RSA) is a standard measure to describe the degree of residue exposure in t...
Deep Learning Solvents Membrane Proteins
View on PubMed DOI

Programmable and reprocessable multifunctional elastomeric sheets for soft origami robots.

Science robotics Apr 7, 2021
Tunable, soft, and multifunctional robots are contributing to developments in medical and rehabilitative robotics, human-machine interaction, and intelligent home technology. A key aspect of soft robot fabrication is the ability to use flexible and e...
Biomimetics Dimethylpolysiloxanes Elastomers Surface Properties Solvents Robotics Equipment Design Humans Printing, Three-Dimensional Smart Materials Swimming Magnets Elasticity Biomimetic Materials Locomotion
View on PubMed DOI

Anti-inflammatory and antibacterial activities of P. petiolosa (Christ) Ching ethyl acetate extract against S. aureus in mice.

Pakistan journal of pharmaceutical sciences Sep 1, 2020
P. petiolosa as a typical Chinese herbal medicine has been generally utilized as Chinese native medicine formulation for treatment of chronic bronchitis, bronchial asthma and pneumoconiosis. The objective of this study was to evaluate the anti-inflam...
Acetates Solvents Bacterial Load Plant Extracts Plant Leaves Membrane Proteins Anti-Inflammatory Agents Disease Models, Animal Nitric Oxide Synthase Type II Mice, Inbred BALB C Pneumonia, Staphylococcal Staphylococcus aureus Animals Polypodiaceae Heme Oxygenase-1 Lung Inflammation Mediators Anti-Bacterial Agents Tumor Necrosis Factor-alpha
View on PubMed
Popular Topics
Recent Journals