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Accurately measuring the size, morphology, and structure of nanoparticles is very important, because they are strongly dependent on their properties for many applications. In this paper, we present a deep-learning based method for…

Materials Science · Physics 2022-07-29 Claudius Zelenka , Marius Kamp , Kolja Strohm , Akram Kadoura , Jacob Johny , Reinhard Koch , Lorenz Kienle

Structure based ligand discovery is one of the most successful approaches for augmenting the drug discovery process. Currently, there is a notable shift towards machine learning (ML) methodologies to aid such procedures. Deep learning has…

Machine Learning · Statistics 2018-06-12 Marta M. Stepniewska-Dziubinska , Piotr Zielenkiewicz , Pawel Siedlecki

Machine learning and computer vision techniques have grown rapidly in recent years due to their automation, suitability, and ability to generate astounding results. Hence, in this paper, we survey the key studies that are published between…

Image and Video Processing · Electrical Eng. & Systems 2022-08-01 Ayman Al-Kababji , Faycal Bensaali , Sarada Prasad Dakua , Yassine Himeur

Complexes of physically interacting proteins constitute fundamental functional units responsible for driving biological processes within cells. A faithful reconstruction of the entire set of complexes is therefore essential to understand…

Molecular Networks · Quantitative Biology 2015-05-21 Sriganesh Srihari , Chern Han Yong , Ashwini Patil , Limsoon Wong

Despite recent advancements in deep learning methods for protein structure prediction and representation, little focus has been directed at the simultaneous inclusion and prediction of protein backbone and sidechain structure information.…

Biomolecules · Quantitative Biology 2020-11-17 Jonathan E. King , David Ryan Koes

Within a logistics supply chain, a large variety of transported goods need to be handled, recognized and checked at many different network points. Often, huge manual effort is involved in recognizing or verifying packet identity or…

Computer Vision and Pattern Recognition · Computer Science 2020-08-12 Laura Dörr , Felix Brandt , Martin Pouls , Alexander Naumann

We use a semisupervised learning algorithm based on a topological data analysis approach to assign functional categories to yeast proteins using similarity graphs. This new approach to analyzing biological networks yields results that are…

Computational Engineering, Finance, and Science · Computer Science 2014-08-26 R. Sean Bowman , Douglas Heisterkamp , Jesse Johnson , Danielle O'Donnol

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

Mapping complex metadata structures is crucial in a number of domains such as data integration, ontology alignment or model management. To speed up that process automatic matching systems were developed to compute mapping suggestions that…

Databases · Computer Science 2011-08-10 Eric Peukert , Julian Eberius , Erhard Rahm

A comparative classification scheme provides a good basis for several approaches to understand proteins, including prediction of relations between their structure and biological function. But it remains a challenge to combine a…

Biomolecules · Quantitative Biology 2015-05-20 Shuangwei Hu , Andrei Krokhotin , Antti J. Niemi , Xubiao Peng

Intricate comparison between two given tertiary structures of proteins is as important as the comparison of their functions. Several algorithms have been devised to compute the similarity and dissimilarity among protein structures. But,…

Computational Geometry · Computer Science 2013-09-26 Ranjeet Kumar Rout , Pabitra Pal Choudhury , B. S. Daya Sagar , Sk. Sarif Hassan

Deep learning has become a crucial tool in studying proteins. While the significance of modeling protein structure has been discussed extensively in the literature, amino acid types are typically included in the input as a default operation…

Quantitative Methods · Quantitative Biology 2024-07-01 Yang Tan , Lirong Zheng , Bozitao Zhong , Liang Hong , Bingxin Zhou

Capsule Networks have great potential to tackle problems in structural biology because of their attention to hierarchical relationships. This paper describes the implementation and application of a Capsule Network architecture to the…

Machine Learning · Computer Science 2018-09-18 Dan Rosa de Jesus , Julian Cuevas , Wilson Rivera , Silvia Crivelli

Identification and alignment of three-dimensional folding of proteins may yield useful information about relationships too remote to be detected by conventional methods, such as sequence comparison, and may potentially lead to prediction of…

Quantitative Methods · Quantitative Biology 2017-01-10 Barış Ekim

Proteins are the fundamental macromolecules that play diverse and crucial roles in all living matter and have tremendous implications in healthcare, manufacturing, and biotechnology. Their functions are largely determined by the sequences…

Biomolecules · Quantitative Biology 2024-09-17 Boqiao Lai

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

Improving the ability to predict protein function can potentially facilitate research in the fields of drug discovery and precision medicine. Technically, the properties of proteins are directly or indirectly reflected in their sequence and…

Biomolecules · Quantitative Biology 2024-11-19 Runze Ma , Chengxin He , Huiru Zheng , Xinye Wang , Haiying Wang , Yidan Zhang , Lei Duan

Problems of search and recognition appear over different scales in biological systems. In this review we focus on the challenges posed by interactions between proteins, in particular transcription factors, and DNA and possible mechanisms…

Biomolecules · Quantitative Biology 2015-03-19 M. Sheinman , O. Bénichou , Y. Kafri , R. Voituriez

Recent applications of machine learning and statistical inference provide case studies demonstrating how such approaches can accelerate the discovery process in physical chemistry and related fields. Examples discussed in this review…

Chemical Physics · Physics 2017-06-20 Ryan B. Jadrich , Beth A. Lindquist , Thomas M. Truskett

Recent developments in deep learning-based methods demonstrated its potential to predict the 3D protein structures using inputs such as protein sequences, Cryo-Electron microscopy (Cryo-EM) images of proteins, etc. However, these methods…

Computer Vision and Pattern Recognition · Computer Science 2022-11-29 Jaydeep Rade , Soumik Sarkar , Anwesha Sarkar , Adarsh Krishnamurthy
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