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Anticancer peptides (ACPs) are a class of molecules that have gained significant attention in the field of cancer research and therapy. ACPs are short chains of amino acids, the building blocks of proteins, and they possess the ability to…

Biomolecules · Quantitative Biology 2024-01-05 Zeynep Hilal Kilimci , Mustafa Yalcin

Discovery of novel protein biomarkers for clinical applications is an active research field across a manifold of diseases. Despite some successes and progress, the biomarker development pipeline still frequently ends in failure as biomarker…

Biomolecules · Quantitative Biology 2025-05-01 Katharina Waury

Structural variants compose the majority of human genetic variation, but are difficult to assess using current genomic sequencing technologies. Optical mapping technologies, which measure the size of chromosomal fragments between labeled…

Quantitative Methods · Quantitative Biology 2019-10-10 Weiwei Li , Jan Hannig , Corbin Jones

An optimization technique is used to determine the pairwise interactions between amino acids in globular proteins. A numerical strategy is applied to a set of proteins for maximizing the native fold stability with respect to alternative…

Soft Condensed Matter · Physics 2007-05-23 Giovanni Settanni , Cristian Micheletti , Jayanth Banavar , Amos Maritan

The prediction of the three-dimensional structures of the native state of proteins from the sequences of their amino acids is one of the most important challenges in molecular biology. An essential ingredient to solve this problem within…

Statistical Mechanics · Physics 2007-05-23 Cristian Micheletti , Flavio Seno , Jayanth Banavar , Amos Maritan

Structural assessment of biomolecular complexes is vital for translating molecular models into functional insights, shaping our understanding of biology and aiding drug discovery. However, current structure-based scoring functions often…

Classification of proteins based on their structure provides a valuable resource for studying protein structure, function and evolutionary relationships. With the rapidly increasing number of known protein structures, manual and…

Computational Engineering, Finance, and Science · Computer Science 2009-07-14 Oktie Hassanzadeh

Virus-like particles (VLPs) are valuable for vaccine development due to their immune-triggering properties. Understanding their stoichiometry, the number of protein subunits to form a VLP, is critical for vaccine optimisation. However,…

Machine Learning · Computer Science 2025-02-18 Jiayang Zhang , Xianyuan Liu , Wei Wu , Sina Tabakhi , Wenrui Fan , Shuo Zhou , Kang Lan Tee , Tuck Seng Wong , Haiping Lu

With the proliferation of inexpensive CMOS cameras, medical imaging experiences a noticeable influx of new technologies. While anatomical imaging is based on well-established principles of photography, physiological optical imaging is a…

Medical Physics · Physics 2023-02-02 Gennadi Saiko

The success of therapeutic antibodies relies on their ability to selectively bind antigens. AI-based antibody design protocols have shown promise in generating epitope-specific designs. Many of these protocols use an inverse folding step to…

Quantitative Methods · Quantitative Biology 2023-12-12 Divya Nori , Simon V. Mathis , Amir Shanehsazzadeh

Until now, design of the annual influenza vaccine has relied on phylogenetic or whole-sequence comparisons of the viral coat proteins hemagglutinin and neuraminidase, with vaccine effectiveness assumed to correlate monotonically to the…

Biomolecules · Quantitative Biology 2007-05-23 Enrique T. Munoz , Michael W. Deem

Allosteric (long-range) interactions can be surprisingly strong in proteins of biomedical interest. Here we use bioinformatic scaling to connect prior results on nonsteroidal anti-inflammatory drugs to promising new drugs that inhibit…

Quantitative Methods · Quantitative Biology 2016-05-04 J. C. Phillips

Here we review the development of protein scaling theory, starting from backgrounds in mathematics and statistical mechanics, and leading to biomedical applications. Evolution has organized each protein family in different ways, but scaling…

Other Quantitative Biology · Quantitative Biology 2016-10-14 J. C. Phillips

Research in bioinformatics is a complex phenomenon as it overlaps two knowledge domains, namely, biological and computer sciences. This paper has tried to introduce an efficient data mining approach for classifying proteins into some useful…

Computational Engineering, Finance, and Science · Computer Science 2011-11-11 Muhammad Mahbubur Rahman , Arif Ul Alam , Abdullah-Al-Mamun , Tamnun E Mursalin

Precision medicine is an evolving area in the medical field and rely on biomarkers to make patient enrichment decisions, thereby providing drug development direction. A traditional statistical approach is to find the cut-off that leads to…

Methodology · Statistics 2025-04-14 Gina D'Angelo , Xiaowen Tian , Chuyu Deng , Xian Zhou

Antimicrobial peptides (AMPs) play important roles in cancer, autoimmune diseases, and aging. A critical aspect of AMP functionality is their targeted interaction with pathogen membranes, which often possess altered lipid compositions.…

Topological properties of native folds are obtained from statistical analysis of 160 low homology proteins covering the four structural classes. This is done analysing one, two and three-vertex joint distribution of quantities related to…

Biological Physics · Physics 2007-05-23 Nelson Augusto Alves , Alexandre Souto Martinez

We first review existing sequential methods for estimating a binomial proportion. Afterward, we propose a new family of group sequential sampling schemes for estimating a binomial proportion with prescribed margin of error and confidence…

Statistics Theory · Mathematics 2013-11-05 Zhengjia Chen , Xinjia Chen

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

We compare two recently proposed methods for the characterization of phase transitions in small systems. The usefulness of these techniques is evaluated for the case of structural transition in alanine-based peptides.

Statistical Mechanics · Physics 2007-05-23 Nelson A. Alves , U. H. E. Hansmann , Y. Peng