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Background:Typically, proteins perform key biological functions by interacting with each other. As a consequence, predicting which protein pairs interact is a fundamental problem. Experimental methods are slow, expensive, and may be error…

Biomolecules · Quantitative Biology 2022-02-08 Leonardo Martini , Adriano Fazzone , Luca Becchetti

Computational protein design has a wide variety of applications. Despite its remarkable success, designing a protein for a given structure and function is still a challenging task. On the other hand, the number of solved protein structures…

Quantitative Methods · Quantitative Biology 2018-04-26 Jingxue Wang , Huali Cao , John Z. H. Zhang , Yifei Qi

In sequence-based predictions, conventionally an input sequence is represented by a multiple sequence alignment (MSA) or a representation derived from MSA, such as a position-specific scoring matrix. Recently, inspired by the development in…

Quantitative Methods · Quantitative Biology 2021-10-18 Nabil Ibtehaz , Daisuke Kihara

Research aimed at scaling up neuroscience inspired learning algorithms for neural networks is accelerating. Recently, a key research area has been the study of energy-based learning algorithms such as predictive coding, due to their…

Machine Learning · Computer Science 2026-01-30 Luca Pinchetti , Simon Frieder , Thomas Lukasiewicz , Tommaso Salvatori

Figuring out small molecule binding sites in target proteins, in the resolution of either pocket or residue, is critical in many virtual and real drug-discovery scenarios. Since it is not always easy to find such binding sites based on…

Quantitative Methods · Quantitative Biology 2023-04-19 Daeseok Lee , Jeunghyun Byun , Bonggun Shin

Predicting protein structure from the amino acid sequence has been a challenge with theoretical and practical significance in biophysics. Despite the recent progresses elicited by improved residue-residue contact prediction, contact-based…

Biomolecules · Quantitative Biology 2019-12-19 Wenze Ding , Haipeng Gong

DNA-binding proteins are a class of proteins which have a specific or general affinity to DNA and include three important components: transcription factors; nucleases, and histones. DNA-binding proteins also perform important roles in many…

Computer Vision and Pattern Recognition · Computer Science 2012-07-12 Sokyna Qatawneh , Afaf Alneaimi , Thamer Rawashdeh , Mmohammad Muhairat , Rami Qahwaji , Stan Ipson

The generation of protein crystals is necessary for the study of protein molecular function and structure. This is done empirically by processing large numbers of crystallization trials and inspecting them regularly in search of those with…

Computer Vision and Pattern Recognition · Computer Science 2018-05-15 Soheil Ghafurian , Peter Orth , Corey Strickland , Hua Su , Sangita Patel , Steven Soisson , Belma Dogdas

Ongoing studies have identified similarities between neural representations in biological networks and in deep artificial neural networks. This has led to renewed interest in developing analogies between the backpropagation learning…

Neural and Evolutionary Computing · Computer Science 2019-06-11 Theodore H. Moskovitz , Ashok Litwin-Kumar , L. F. Abbott

Gene regulatory networks play a crucial role in controlling an organism's biological processes, which is why there is significant interest in developing computational methods that are able to extract their structure from high-throughput…

Machine Learning · Statistics 2018-09-19 Ioan Gabriel Bucur , Tom van Bussel , Tom Claassen , Tom Heskes

Backpropagation (BP) is the standard algorithm for training the deep neural networks that power modern artificial intelligence including large language models. However, BP is energy inefficient and unlikely to be implemented by the brain.…

Machine Learning · Computer Science 2025-10-30 Francesco Innocenti

Proteins are known to locate their specific targets on DNA up to two orders of magnitude faster than predicted by the Smoluchowski three-dimensional diffusion rate. One of the mechanisms proposed to resolve this discrepancy is termed…

Biomolecules · Quantitative Biology 2011-11-10 Tao Hu , B. I. Shklovskii

In many Twitter studies, it is important to know where a tweet came from in order to use the tweet content to study regional user behavior. However, researchers using Twitter to understand user behavior often lack sufficient geo-tagged…

Social and Information Networks · Computer Science 2017-11-21 Binxuan Huang , Kathleen M. Carley

Motivation: Protein-to-genome alignment is critical to annotating genes in non-model organisms. While there are a few tools for this purpose, all of them were developed over ten years ago and did not incorporate the latest advances in…

Genomics · Quantitative Biology 2022-12-29 Heng Li

Predicting protein structure from amino acid sequence is one of the most important unsolved problems of molecular biology and biophysics.Not only would a successful prediction algorithm be a tremendous advance in the understanding of the…

Computational Engineering, Finance, and Science · Computer Science 2010-06-15 K. K Senapati , G. Sahoo , D. Bhaumik

During the past decade, with the significant progress of computational power as well as ever-rising data availability, deep learning techniques became increasingly popular due to their excellent performance on computer vision problems. The…

Quantitative Methods · Quantitative Biology 2017-07-20 Afshine Amidi , Shervine Amidi , Dimitrios Vlachakis , Vasileios Megalooikonomou , Nikos Paragios , Evangelia I. Zacharaki

The present gap between the amount of available protein sequence due to the development of next generation sequencing technology (NGS) and slow and expensive experimental extraction of useful information like annotation of protein sequence…

Computer Vision and Pattern Recognition · Computer Science 2018-11-02 Sheikh Muhammad Saiful Islam , Md Mahedi Hasan

Automated cell detection and localization from microscopy images are significant tasks in biomedical research and clinical practice. In this paper, we design a new cell detection and localization algorithm that combines deep convolutional…

Computer Vision and Pattern Recognition · Computer Science 2018-10-09 Yao Xue , Gilbert Bigras , Judith Hugh , Nilanjan Ray

Given a differentiable network architecture and loss function, we revisit optimizing the network's neurons in function space using Boosted Backpropagation (Grubb & Bagnell, 2010), in contrast to optimizing in parameter space. From this…

Machine Learning · Computer Science 2025-02-04 Daniel Munoz

Approximate Bayesian Computation is widely used in systems biology for inferring parameters in stochastic gene regulatory network models. Its performance hinges critically on the ability to summarize high-dimensional system responses such…

Machine Learning · Statistics 2021-04-13 Mattias Åkesson , Prashant Singh , Fredrik Wrede , Andreas Hellander