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Molecular generation and molecular property prediction are both crucial for drug discovery, but they are often developed independently. Inspired by recent studies, which demonstrate that diffusion model, a prominent generative approach, can…

Machine Learning · Computer Science 2025-04-07 Shikun Feng , Yuyan Ni , Yan Lu , Zhi-Ming Ma , Wei-Ying Ma , Yanyan Lan

DNA translocation through nanopores is one of the most promising strategies for the next-generation sequencing technologies. Most part of experimental and numerical works has focused on polymer translocation biased by electrophoresis, where…

Soft Condensed Matter · Physics 2018-02-07 Timothée Menais

Reference-guided DNA sequencing and alignment is an important process in computational molecular biology. The amount of DNA data grows very fast, and many new genomes are waiting to be sequenced while millions of private genomes need to be…

Rapid technological advances have allowed for molecular profiling across multiple omics domains from a single sample for clinical decision making in many diseases, especially cancer. As tumor development and progression are dynamic…

Methodology · Statistics 2022-02-11 Dongyan Yan , Subharup Guha

Improved understanding of charge-transport in single molecules is essential for harnessing the potential of molecules e.g. as circuit components at the ultimate size limit. However, interpretation and analysis of the large, stochastic…

Mesoscale and Nanoscale Physics · Physics 2020-08-06 Nathan D. Bamberger , Jeffrey A. Ivie , Keshaba N. Parida , Dominic V. McGrath , Oliver L. A. Monti

Branching architecture characterizes numerous systems, ranging from synthetic (hyper)branched polymers and biomolecules such as lignin, amylopectin, and nucleic acids to tracheal and neuronal networks. Its ubiquity reflects the many…

Soft Condensed Matter · Physics 2025-06-18 Domen Vaupotič , Jules Morand , Luca Tubiana , Anže Božič

Single-Molecule Localization Microscopy (SMLM) has expanded our ability to visualize subcellular structures but is limited in its temporal resolution. Increasing emitter density will improve temporal resolution, but current analysis…

Signal Processing · Electrical Eng. & Systems 2023-05-10 Armin Abdehkakha , Craig Snoeyink

The variation in DNA copy number carries information on the modalities of genome evolution and misregulation of DNA replication in cancer cells; its study can be helpful to localize tumor suppressor genes, distinguish different populations…

Methodology · Statistics 2012-03-20 Zhongyang Zhang , Kenneth Lange , Chiara Sabatti

Background. A large number of algorithms is being developed to reconstruct evolutionary models of individual tumours from genome sequencing data. Most methods can analyze multiple samples collected either through bulk multi-region…

Genomics · Quantitative Biology 2019-03-26 Daniele Ramazzotti , Alex Graudenzi , Luca De Sano , Marco Antoniotti , Giulio Caravagna

The correlations between the sequence of monomers in a polymer and its three-dimensional structure is a grand challenge in polymer science and biology. The properties and functions of macromolecules depend on their 3D shape that has…

Materials Science · Physics 2021-07-15 Ashwin A Bale , Tarak K Patra

Multitype branching processes (MTBP) model branching structures, where the nodes of the resulting tree are objects of different types. One field of application of such models in biology is in studies of cell proliferation. A sampling scheme…

Computation · Statistics 2012-06-19 Nina Daskalova

Macromolecular crowding plays a principal role in a wide range of biological processes including gene expression, chromosomal compaction, and viral infection. However, the impact that crowding has on the dynamics of nucleic acids remains a…

In order to understand the nuclei which develop during the course of protein folding and unfolding, we examine phase segregation of a single heteropolymer chain which occurs in equilibrium. These segregated conformations are characterized…

Disordered Systems and Neural Networks · Physics 2009-10-31 Rose Du , Alexander Yu. Grosberg , Toyoichi Tanaka

Near critical catalyst-reactant branching processes with controlled immigration are studied. The reactant population evolves according to a branching process whose branching rate is proportional to the total mass of the catalyst. The bulk…

Probability · Mathematics 2013-09-06 Amarjit Budhiraja , Dominik Reinhold

In this work, we introduce Variational Umbrella Seeding, a novel technique for computing nucleation barriers. This new method, a refinement of the original seeding approach, is far less sensitive to the choice of order parameter for…

Soft Condensed Matter · Physics 2024-05-03 Willem Gispen , Jorge R. Espinosa , Eduardo Sanz , Carlos Vega , Marjolein Dijkstra

We formulate code concatenation as the action of a unitary quantum circuit on an expanding tree geometry and find that for certain classes of gates, applied identically at each node, a binary tree circuit encodes a single logical qubit with…

Quantum Physics · Physics 2025-10-03 Grace M. Sommers , David A. Huse , Michael J. Gullans

In this paper, we study unit commitment (UC) problems considering the uncertainty of load and wind power generation. UC problem is formulated as a chance-constrained two-stage stochastic programming problem where the chance constraint is…

Optimization and Control · Mathematics 2016-11-29 Yao Zhang , Jianxue Wang , Bo Zeng , Zechun Hu

The mechanical properties of molecules are today captured by single molecule manipulation experiments, so that polymer features are tested at a nanometric scale. Yet devising mathematical models to get further insight beyond the commonly…

DNA sequencing is revolutionising the field of medicine. DNA sequencers, the machines which perform DNA sequencing, have evolved from the size of a fridge to that of a mobile phone over the last two decades. The cost of sequencing a human…

Genomics · Quantitative Biology 2021-01-14 Hasindu Gamaarachchi

Background: The short reads output by first- and second-generation DNA sequencing instruments cannot completely reconstruct microbial chromosomes. Therefore, most genomes have been left unfinished due to the significant resources required…