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Biological functions stem from coordinated interactions among proteins, nucleic acids and small molecules. Mass spectrometry technologies for reliable, high throughput single-cell proteomics will add a new modality to genomics and enable…

Genomics · Quantitative Biology 2023-11-07 Andrew Leduc , Hannah Harens , Nikolai Slavov

With the growing access to administrative health databases, retrospective studies have become crucial evidence for medical treatments. Yet, non-randomized studies frequently face selection biases, requiring mitigation strategies. Propensity…

Machine Learning · Statistics 2026-05-07 Alexandre Abraham , Andrés Hoyos Idrobo

The identification of essential proteins in protein-protein interaction networks (PINs) can help to discover drug targets and prevent disease. In order to improve the accuracy of the identification of essential proteins, researchers…

Molecular Networks · Quantitative Biology 2023-12-08 Haoyue Wang , Li Pan , Bo Yang , Junqiang Jiang , Wenbin Li

Identification of biomarkers is an emerging area in Oncology. In this article, we develop an efficient statistical procedure for classification of protein markers according to their effect on cancer progression. A high-dimensional…

Applications · Statistics 2021-01-08 Souvik Banerjee , Gajendra K. Vishwakarma , Atanu Bhattacharjee

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

The comparison of computer generated protein structural models is an important element of protein structure prediction. It has many uses including model quality evaluation, selection of the final models from a large set of candidates or…

Computational Engineering, Finance, and Science · Computer Science 2011-07-27 Paweł Widera , Natalio Krasnogor

Generalization beyond training data remains a central challenge in machine learning for biology. A common way to enhance generalization is self-supervised pre-training on large datasets. However, aiming to perform well on all possible…

Micropatterning techniques have become an important tool for the study of cell behavior in controlled microenvironments. As a consequence, several approaches for the creation of micropatterns have been developed in recent years. However,…

Biological Physics · Physics 2016-02-05 F. J. Segerer , P. J. F. Röttgermann , S. Schuster , A. Piera Alberola , S. Zahler , J. O. Rädler

Building a working mental model of a protein typically requires weeks of reading, cross-referencing crystal and predicted structures, and inspecting ligand complexes, an effort that is slow, unevenly accessible, and often requires…

Biomolecules · Quantitative Biology 2025-10-22 Carles Navarro , Mariona Torrens , Philipp Thölke , Stefan Doerr , Gianni De Fabritiis

Many Artificial Intelligence systems depend on the agent's updating its beliefs about the world on the basis of experience. Experiments constitute one type of experience, so scientific methodology offers a natural environment for examining…

Artificial Intelligence · Computer Science 2013-04-08 Harold P. Lehmann

Multiple sequence alignments (MSAs) of proteins encode rich biological information and have been workhorses in bioinformatic methods for tasks like protein design and protein structure prediction for decades. Recent breakthroughs like…

Early identification of individuals at elevated risk of Chlamydia trachomatis infection may enable optimal use of molecular testing in resource-aware screening. We evaluate the feasibility of pre-test risk stratification (PTRS) using…

Machine Learning · Computer Science 2026-05-19 Mehrab Mahdian , Marko Lehes , Katrin Krolov , Tamas Pardy

How and where proteins interface with one another can ultimately impact the proteins' functions along with a range of other biological processes. As such, precise computational methods for protein interface prediction (PIP) come highly…

Quantitative Methods · Quantitative Biology 2021-10-08 Alex Morehead , Chen Chen , Ada Sedova , Jianlin Cheng

The worldwide surge of multiresistant microbial strains has propelled the search for alternative treatment options. The study of Protein-Protein Interactions (PPIs) has been a cornerstone in the clarification of complex physiological and…

The rise of big data systems has created a need for benchmarks to measure and compare the capabilities of these systems. Big data benchmarks present unique scalability challenges. The supercomputing community has wrestled with these…

Performance · Computer Science 2016-12-13 Patrick Dreher , Chansup Byun , Chris Hill , Vijay Gadepally , Bradley Kuszmaul , Jeremy Kepner

Mass spectrometry is a widely used method to study molecules and processes in medicine, life sciences, chemistry, catalysis, and industrial product quality control, among many other applications. One of the main features of some mass…

Chemical Physics · Physics 2024-07-02 Daniil A. Boiko , Valentine P. Ananikov

Artificial intelligence (AI) techniques are widely applied in the life sciences. However, applying innovative AI techniques to understand and deconvolute biological complexity is hindered by the learning curve for life science scientists to…

Artificial Intelligence · Computer Science 2024-03-28 Nisha Pillai , Athish Ram Das , Moses Ayoola , Ganga Gireesan , Bindu Nanduri , Mahalingam Ramkumar

Proteins are complex biomolecules that play a central role in various biological processes, making them critical targets for breakthroughs in molecular biology, medical research, and drug discovery. Deciphering their intricate, hierarchical…

Machine Learning · Computer Science 2025-05-09 Viet Thanh Duy Nguyen , Truong-Son Hy

Understanding how molecular alterations propagate across biological systems to drive disease remains a central challenge. Although high-throughput profiling enables comprehensive characterization of tumor states, most models neglect…

Quantitative Methods · Quantitative Biology 2026-05-11 Kyle Higgins , Guadalupe Gonzalez , Dennis Veselkov , Ivan Laponogov , Kirill Veselkov

In the pharmaceutical industry, the use of artificial intelligence (AI) has seen consistent growth over the past decade. This rise is attributed to major advancements in statistical machine learning methodologies, computational capabilities…

Methodology · Statistics 2023-12-01 Yuhan Li , Hongtao Zhang , Keaven Anderson , Songzi Li , Ruoqing Zhu
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