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Protein-ligand binding is the process by which a small molecule (drug or inhibitor) attaches to a target protein. Binding affinity, which characterizes the strength of biomolecular interactions, is essential for tackling diverse challenges…
Since the mechanism of action of drug molecules in the human body is difficult to reproduce in the in vitro environment, it becomes difficult to reveal the causes of the activity cliff phenomenon of drug molecules. We found out the AC of…
DNA read mapping is a computationally expensive bioinformatics task, required for genome assembly and consensus polishing. It requires to find the best-fitting location for each DNA read on a long reference sequence. A novel resistive…
We present a coarse-grained model for evaluation of interactions of globular proteins with nanoparticles. The protein molecules are represented by one bead per aminoacid and the nanoparticle by a homogeneous sphere that interacts with the…
The anti-cancer immune response relies on the bindings between T-cell receptors (TCRs) and antigens, which elicits adaptive immunity to eliminate tumor cells. This ability of the immune system to respond to novel various neoantigens arises…
The Pinching Antenna System (PAS) has emerged as a promising technology to dynamically reconfigure wireless propagation environments in 6G networks. By activating radiating elements at arbitrary positions along a dielectric waveguide, PAS…
Developing a reliable and practical face recognition system is a long-standing goal in computer vision research. Existing literature suggests that pixel-wise face alignment is the key to achieve high-accuracy face recognition. By assuming a…
We demonstrate a new algorithm for finding protein conformations that minimize a non-bonded energy function. The new algorithm, called the difference map, seeks to find an atomic configuration that is simultaneously in two constraint…
A low-power Content-Addressable-Memory (CAM) is introduced employing a new mechanism for associativity between the input tags and the corresponding address of the output data. The proposed architecture is based on a recently developed…
This study reveals the essence of ligand recognition mechanisms by which calmodulin (CaM) controls a variety of Ca2+ signaling processes. We study eight forms of calcium-loaded CaM each with distinct conformational states. Reducing the…
Assessing tumor response to systemic therapies is one of the main applications of PET/CT. Routinely, only a small subset of index lesions out of multiple lesions is analyzed. However, this operator dependent selection may bias the results…
In recent era prediction of enzyme class from an unknown protein is one of the challenging tasks in bioinformatics. Day to day the number of proteins is increases as result the prediction of enzyme class gives a new opportunity to…
Clustered regularly interspaced short palindromic repeats (CRISPR) in bacterial and archaeal DNA have recently been shown to be a new type of anti-viral immune system in these organisms. We here study the diversity of spacers in CRISPR…
The widespread integration of embedded systems across various industries has facilitated seamless connectivity among devices and bolstered computational capabilities. Despite their extensive applications, embedded systems encounter…
Large language models (LLMs) remain vulnerable to misalignment and jailbreaks, making external safeguards like moderation filters essential, yet existing filters often focus narrowly on safety, falling short of the broader alignment needs…
This work addresses the question whether it is possible to design a computer-vision based automatic threat recognition (ATR) system so that it can adapt to changing specifications of a threat without having to create a new ATR each time.…
Protein-DNA interactions are critical for the successful functioning of all natural systems. The key role in these interactions is played by processes of protein search for specific sites on DNA. Although it has been studied for many years,…
The most common gene regulation mechanism is when a protein binds to a regulatory sequence to change RNA transcription. However, these sequences are short relative to the genome length, so finding them poses a challenging search problem.…
Current methods for investigation of receptor - ligand interactions in drug discovery are based on three-dimensional complementarity of receptor and ligand surfaces, and they include pharmacophore modelling, QSAR, molecular docking etc.…
A wireless sensing architecture via pinching antenna systems is proposed. Compared to conventional wireless systems, PASS offers flexible antenna deployment and improved probing performance for wireless sensing by leveraging dielectric…