AIMC Topic: Hydrophobic and Hydrophilic Interactions

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TMSEG: Novel prediction of transmembrane helices.

Proteins
Transmembrane proteins (TMPs) are important drug targets because they are essential for signaling, regulation, and transport. Despite important breakthroughs, experimental structure determination remains challenging for TMPs. Various methods have bri...

Analytical approach to determining human biogenic amines and their metabolites using eVol microextraction in packed syringe coupled to liquid chromatography mass spectrometry method with hydrophilic interaction chromatography column.

Talanta
Analysis of biogenic amines (BAs) in different human samples provides insight into the mechanisms of various biological processes, including pathological conditions, and thus may be very important in diagnosing and monitoring several neurological dis...

Hydrophilic Ionic Liquids as Ingredients of Gel-Based Dermal Formulations.

AAPS PharmSciTech
Ionic liquids (ILs) have several properties that offer many advantages in dermal drug delivery systems. Depending on the chemical structure, ILs can be used for protection against microorganisms, to enhance skin penetration, and as a solvent. In the ...

MATEPRED-A-SVM-Based Prediction Method for Multidrug And Toxin Extrusion (MATE) Proteins.

Computational biology and chemistry
The growth and spread of drug resistance in bacteria have been well established in both mankind and beasts and thus is a serious public health concern. Due to the increasing problem of drug resistance, control of infectious diseases like diarrhea, pn...

Antioxidant bioactivity of sunflower protein hydrolysates in Caco-2 cells and in silico structural properties.

Food chemistry
Sunflower protein hydrolysate (SPH), with 95 % reduced phenolic content, was studied for its protective effects against oxidative stress in intestinal cells (Caco-2). Produced via alcalase hydrolysis, SPH's molecular weight, amino acid composition, a...

AlphaFold modeling uncovers global structural features of class I and class II fungal hydrophobins.

Protein science : a publication of the Protein Society
Hydrophobins are a family of small fungal proteins that self-assemble at hydrophobic-hydrophilic interfaces. Hydrophobins not only play crucial roles in filamentous fungal growth and development but also have attracted substantial attention due to th...

Discovery of unconventional and nonintuitive self-assembling peptide materials using experiment-driven machine learning.

Science advances
Prediction of peptide secondary structure is challenging because of complex molecular interactions, sequence-specific behavior, and environmental factors. Traditional design strategies, based on hydrophobicity and structural propensity, can be biased...

Investigating the Nature of PRM:SH3 Interactions Using Artificial Intelligence and Molecular Dynamics.

Journal of chemical information and modeling
Understanding the binding interactions within protein-peptide complexes is crucial for elucidating key physicochemical phenomena in biological systems. Among the outcomes of these interactions, biomolecular condensates have recently emerged as vital ...