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Molecular recognition between two double stranded (ds) DNA with homologous sequences may not seem compatible with the B-DNA structure because the sequence information is hidden when it is used for joining the two strands. Nevertheless, it…

Biomolecules · Quantitative Biology 2016-04-20 Alexey K. Mazur

When the DNA double helix is subjected to external forces it can stretch elastically to elongations reaching 100% of its natural length. These distortions, imposed at the mesoscopic or macroscopic scales, have a dramatic effect on…

Materials Science · Physics 2009-11-13 Ryan Barnett , Paul Maragakis , Ari Turner , Maria Fyta , Efthimios Kaxiras

GNN-based methods have achieved excellent results as a mainstream task in drug response prediction tasks in recent years. Traditional GNN methods use only the atoms in a drug molecule as nodes to obtain the representation of the molecular…

Biomolecules · Quantitative Biology 2024-12-12 Kun Li , Jia Wu , Bo Du , Sergey V. Petoukhov , Huiting Xu , Zheman Xiao , Wenbin Hu

In the past two decades, many research groups worldwide have tried to understand and categorize simple regimes in the charge transfer of such biological systems as DNA. Theoretically speaking, the lack of exact theories for electron-nuclear…

Chemical Physics · Physics 2014-05-06 Pablo Ramos , Michele Pavanello

Messenger RNA-based medicines hold immense potential, as evidenced by their rapid deployment as COVID-19 vaccines. However, worldwide distribution of mRNA molecules has been limited by their thermostability, which is fundamentally limited…

The prosperity of computer vision (CV) and natural language procession (NLP) in recent years has spurred the development of deep learning in many other domains. The advancement in machine learning provides us with an alternative option…

Machine Learning · Computer Science 2020-12-02 Chen Qian , Yunhai Xiong , Xiang Chen

This paper studies a new application of deep learning (DL) for optimizing constellations in two-way relaying with physical-layer network coding (PNC), where deep neural network (DNN)-based modulation and demodulation are employed at each…

Information Theory · Computer Science 2019-03-12 Toshiki Matsumine , Toshiaki Koike-Akino , Ye Wang

Motivated by the wide ranging experimental results on the conductivity of DNA, we have investigated extraordinary configurations and chemical environments in which DNA might become a true molecular wire, perticularly from enhanced…

Soft Condensed Matter · Physics 2009-09-29 R. G. Endres , D. L. Cox , R. R. P. Singh

The adsorption of DNA or other polyelectrolyte molecules on charged membranes is a recurrent motif in soft matter and bionanotechnological systems. Two typical situations encountered are the deposition of single DNA chains onto substrates…

Soft Condensed Matter · Physics 2016-10-19 Sahin Buyukdagli , Ralf Blossey

Density functional theory (DFT) is one of the main methods in Quantum Chemistry that offers an attractive trade off between the cost and accuracy of quantum chemical computations. The electron density plays a key role in DFT. In this work,…

Chemical Physics · Physics 2018-09-11 Anton V. Sinitskiy , Vijay S. Pande

We propose a method for channel training and precoding in FDD massive MIMO based on deep neural networks (DNNs), exploiting Downlink (DL) channel covariance knowledge. The DNN is optimized to maximize the DL multi-user sum-rate, by…

Information Theory · Computer Science 2023-03-21 Yi Song , Tianyu Yang , Mahdi Barzegar Khalilsarai , Giuseppe Caire

Many-body physics of electron-electron correlations plays a central role in condensed mater physics, it governs a wide range of phenomena, stretching from superconductivity to magnetism, and is behind numerous technological applications. To…

Mesoscale and Nanoscale Physics · Physics 2023-06-09 Anupam Bhattacharya , Ivan Timokhin , Ratnamala Chatterjee , Qian Yang , Artem Mishchenko

We investigate quantum transport characteristics of a ladder model, which effectively mimics the topology of a double-stranded DNA molecule. We consider the interaction of tunneling charges with a selected internal vibrational degree of…

Soft Condensed Matter · Physics 2007-05-23 R. Gutierrez , S. Mohapatra , H. Cohen , D. Porath , G. Cuniberti

Deep convolutional neural networks (DCNN) have enjoyed great successes in many signal processing applications because they can learn complex, non-linear causal relationships from input to output. In this light, DCNNs are well suited for the…

Image and Video Processing · Electrical Eng. & Systems 2018-10-31 Xi Zhang , Xiaolin Wu

Understanding the morphological changes of primary neuronal cells induced by chemical compounds is essential for drug discovery. Using the data from a single high-throughput imaging assay, a classification model for predicting the…

Image and Video Processing · Electrical Eng. & Systems 2019-09-02 Andrey Kormilitzin , Xinyu Yang , William H. Stone , Caroline Woffindale , Francesca Nicholls , Elena Ribe , Alejo Nevado-Holgado , Noel Buckley

In this paper, we propose the Deep Structured self-Driving Network (DSDNet), which performs object detection, motion prediction, and motion planning with a single neural network. Towards this goal, we develop a deep structured energy based…

Computer Vision and Pattern Recognition · Computer Science 2020-08-14 Wenyuan Zeng , Shenlong Wang , Renjie Liao , Yun Chen , Bin Yang , Raquel Urtasun

Structural prediction has long been considered critical in RNA research, especially following the success of AlphaFold2 in protein studies, which has drawn significant attention to the field. While recent advances in machine learning and…

Biomolecules · Quantitative Biology 2024-09-26 Jiaxing Yang

We have studied the separation of a double stranded DNA (dsDNA), which is driven either by the temperature or force. By monitoring the probability of opening of entire base pairs along the chain, we show that the opening of a dsDNA depends…

Soft Condensed Matter · Physics 2011-05-03 Shikha Srivastava , Navin Singh

Recent advances in deep neural networks (DNNs) owe their success to training algorithms that use backpropagation and gradient-descent. Backpropagation, while highly effective on von Neumann architectures, becomes inefficient when scaling to…

Neural and Evolutionary Computing · Computer Science 2019-05-10 Brian Crafton , Abhinav Parihar , Evan Gebhardt , Arijit Raychowdhury

The emerging field of DNA storage employs strands of DNA bases (A/T/C/G) as a storage medium for digital information to enable massive density and durability. The DNA storage pipeline includes: (1) encoding the raw data into sequences of…

Genomics · Quantitative Biology 2025-01-28 Hadas Abraham , Barak Gahtan , Adir Kobovich , Orian Leitersdorf , Alex M. Bronstein , Eitan Yaakobi