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Biological networks provide insight into the complex organization of biological processes in a cell at the system level. They are an effective tool for understanding the comprehensive map of functional interactions, finding the functional…

Molecular Networks · Quantitative Biology 2017-09-14 Somaye Hashemifar

We model the evolution of eukaryotic protein-protein interaction (PPI) networks. In our model, PPI networks evolve by two known biological mechanisms: (1) Gene duplication, which is followed by rapid diversification of duplicate…

Molecular Networks · Quantitative Biology 2015-01-07 Jack Peterson , Steve Presse , Kristin S. Peterson , Ken A. Dill

Cellular functions are based on the complex interplay of proteins, therefore the structure and dynamics of these protein-protein interaction (PPI) networks are the key to the functional understanding of cells. In the last years, large-scale…

Molecular Networks · Quantitative Biology 2013-03-27 Yuliang Jin , Dmitrij Turaev , Thomas Weinmaier , Thomas Rattei , Hernan A. Makse

We seek to understand the probability an individual benefits from treatment (PIBT), an inestimable quantity that must be bounded in practice. Given the innate uncertainty in the population-level bounds on PIBT, we seek to better understand…

Methodology · Statistics 2024-04-04 Gabriel Ruiz , Oscar Hernan Madrid Padilla

Prediction of protein-ligand interactions (PLI) plays a crucial role in drug discovery as it guides the identification and optimization of molecules that effectively bind to target proteins. Despite remarkable advances in deep…

Biomolecules · Quantitative Biology 2023-07-18 Seokhyun Moon , Sang-Yeon Hwang , Jaechang Lim , Woo Youn Kim

Computational biology and bioinformatics provide vast data gold-mines from protein sequences, ideal for Language Models taken from NLP. These LMs reach for new prediction frontiers at low inference costs. Here, we trained two…

DNA-binding proteins (DBPs) are integral to gene regulation and cellular processes, making their accurate identification essential for understanding biological functions and disease mechanisms. Experimental methods for DBP identification…

Machine Learning · Computer Science 2025-07-29 Samiul Based Shuvo , Tasnia Binte Mamun , U Rajendra Acharya

Efficient text classification is essential for handling the increasing volume of academic publications. This study explores the use of pre-trained language models (PLMs), including BERT, SciBERT, BioBERT, and BlueBERT, fine-tuned on the Web…

Computation and Language · Computer Science 2025-09-09 Zhyar Rzgar K Rostam , Gábor Kertész

Identifying protein functional sites (PFSs) and protein-ligand interactions (PLIs) are critically important in understanding the protein function and the involved biochemical reactions. As large amount of unknown proteins are quickly…

Biomolecules · Quantitative Biology 2017-01-30 Dengming Ming , Min Han , Xiongbo An

Protein complexes conserved across species indicate processes that are core to cellular machinery (e.g. cell-cycle or DNA damage-repair complexes conserved across human and yeast). While numerous computational methods have been devised to…

Molecular Networks · Quantitative Biology 2013-10-24 Phi Vu Nguyen , Sriganesh Srihari , Hon Wai Leong

Background. Human aging is linked to many prevalent diseases. The aging process is highly influenced by genetic factors. Hence, it is important to identify human aging-related genes. We focus on supervised prediction of such genes. Gene…

Molecular Networks · Quantitative Biology 2020-04-28 Qi Li , Tijana Milenković

We developed an explainable deep learning framework integrating protein-protein interaction (PPI) network centrality metrics with node embeddings for cancer therapeutic target prioritization. A high-confidence PPI network was constructed…

Quantitative Methods · Quantitative Biology 2025-11-26 Adham M. Alkhadrawi , Kyungsu Kim , Arif M. Rahman , Fahad Mushabbab G. Alotaibi

Accurately predicting complex protein-protein interactions (PPIs) is crucial for decoding biological processes, from cellular functioning to disease mechanisms. However, experimental methods for determining PPIs are computationally…

One of the main advantages of deep learning models of protein structure, such as Alphafold2, is their ability to accurately estimate the confidence of a generated structural model, which allows us to focus on highly confident…

Quantitative Methods · Quantitative Biology 2024-12-23 Julia K. Varga , Sergey Ovchinnikov , Ora Schueler-Furman

This paper conducts a comprehensive investigation into applying large language models, particularly on BioBERT, in healthcare. It begins with thoroughly examining previous natural language processing (NLP) approaches in healthcare, shedding…

Artificial Intelligence · Computer Science 2023-10-13 Shyni Sharaf , V. S. Anoop

Protein structure prediction has advanced significantly with the introduction of AlphaFold3, a diffusion-based model capable of predicting complex biomolecular interactions across proteins, nucleic acids, small molecules, and ions. While…

Quantitative Methods · Quantitative Biology 2025-11-12 Shreya Gopalan , Sundar Narayanan

Motivation: Drug discovery demands rapid quantification of compound-protein interaction (CPI). However, there is a lack of methods that can predict compound-protein affinity from sequences alone with high applicability, accuracy, and…

Biomolecules · Quantitative Biology 2020-12-17 Mostafa Karimi , Di Wu , Zhangyang Wang , Yang Shen

Large language models (LLMs) often lack specialized knowledge for complex bioinformatics applications. We present a reproducible pipeline for fine-tuning LLMs on specialized bioinformatics data, demonstrated through two use cases: PRSGPT,…

Computation and Language · Computer Science 2026-01-21 Muhammad Muneeb , David B. Ascher

High-throughput protein interaction detection methods are strongly affected by false positive and false negative results. Focused experiments are needed to complement the large-scale methods by validating previously detected interactions…

Molecular Networks · Quantitative Biology 2007-05-23 Istvan Albert , Reka Albert

Background: Coevolution within a protein family is often predicted using statistics that measure the degree of covariation between positions in the protein sequence. Mutual Information is a measure of dependence between two random variables…

Populations and Evolution · Quantitative Biology 2013-04-17 Russell J. Dickson , Gregory B. Gloor
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