相关论文: Multiphasic interactions between nucleotides and t…
Knowledge of the mechanisms of interaction between self-aggregating peptides and nucleic acids or other polyanions is key to the understanding of many aggregation processes underlying several human diseases (e.g. Alzheimer's and Parkinson's…
Hydrophilic and LCST polymer chains, poly(N,N-dimethylacrylamide) (PDMA) and poly(Nisopropylacrylamide)(PNIPA), were combined in semi-interpenetrated architectures toinvestigate their responsive properties in swollen isochoric conditions…
The paper investigates the problem of fitting protein complexes into electron density maps. They are represented by high-resolution cryoEM density maps converted into overlapping matrices and partly show a structure of a complex. The…
Drug discovery (DD) has tremendously contributed to maintaining and improving public health. Hypothesizing that inhibiting protein misfolding can slow disease progression, researchers focus on target identification (Target ID) to find…
The prediction of protein interactions (CPIs) is crucial for the in-silico screening step in drug discovery. Recently, many end-to-end representation learning methods using deep neural networks have achieved significantly better performance…
Chitosan (CT) is an antibacterial polysaccharide that has been investigated for drug carriers, haemostats and wound dressings. For these applications, customised CT devices can often be obtained with specific experimental conditions, which…
Graph heterophily poses a formidable challenge to the performance of Message-passing Graph Neural Networks (MP-GNNs). The familiar low-pass filters like Graph Convolutional Networks (GCNs) face performance degradation, which can be…
We study the phase behavior of random heteropolymers (RHPs) with quenched cross-links, a novel polymer class of technological and biological relevance, and show the possible occurrence of freezing with few chain conformations sampled. The…
Identification and characterization of large protein complexes is a mainstay of biochemical toolboxes. Utilization of cross-linking chemicals can facilitate the capture and identification of transient or weak interactions of a transient…
Phosphorylation is a prototypical example of post-translational modifications (PTMs) that dynamically modulate protein func-tion, where dysregulation is often implicated in disease. NMR provides information on the exact location and time…
Homeodomain containing proteins are a broad class of DNA binding proteins that are believed to primarily function as transcription factors. Electrostatics interactions have been demonstrated to be critical for the binding of the homeodomain…
Nanoparticle (NP)-protein complexes exhibit the correct identity of NP in biological media. Therefore, protein-NP interactions should be closely explored to understand and to modulate the nature of NPs in medical implementations. This…
Phase-separated biomolecular condensates containing proteins and RNAs can assemble into higher-order structures by forming thermodynamically stable interfaces between immiscible phases. Using a minimal model of a protein/RNA interaction…
Molecular dynamics simulations of biomolecules have been widely adopted in biomedical studies. As classical point-charge models continue to be used in routine biomolecular applications, there have been growing demands on developing…
A survey of some results in the modern microscopic theory of properties of nuclear reactions with gamma-rays is given. First of all, we discuss the impact of phonon coupling (PC) on the photon strength function (PSF) because it represents…
How do living cells achieve sufficient abundances of functional protein complexes while minimizing promiscuous non-functional interactions? Here we study this problem using a first-principle model of the cell whose phenotypic traits are…
An approach for multiplex qualitative and quantitative microarray-based PCR analysis has been proposed. The characteristics of PCR executed on a gel-based oligonucleotide microarray with immobilized forward primers and a single common…
It is known that steric blocking by peptide sidechains of hydrogen bonding, HB, between water and peptide groups, PGs, in beta sheets accords with an amino acid intrinsic beta sheet preference. The present observations with Quantum…
The activities and interactions of proteins that govern the cellular response to a signal generate a multitude of protein phosphorylation states and heterogeneous protein complexes. Here, using a computational model that accounts for 307…
This paper proposes a heterogenous density fusion approach to scalable multisensor multitarget tracking where the inter-connected sensors run different types of random finite set (RFS) filters according to their respective capacity and…