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Virtual screening, which identifies potential drugs from vast compound databases to bind with a particular protein pocket, is a critical step in AI-assisted drug discovery. Traditional docking methods are highly time-consuming, and can only…

机器学习 · 计算机科学 2023-10-11 Bowen Gao , Bo Qiang , Haichuan Tan , Minsi Ren , Yinjun Jia , Minsi Lu , Jingjing Liu , Weiying Ma , Yanyan Lan

Photoactivatable ribonucleoside-enhanced cross-linking and immunoprecipitation (PAR-CLIP) is an experimental method based on next-generation sequencing for identifying the RNA interaction sites of a given protein. The method deliberately…

定量方法 · 定量生物学 2015-04-08 Monica Golumbeanu , Pejman Mohammadi , Niko Beerenwinkel

Multi-modality pre-training paradigm that aligns protein sequences and biological descriptions has learned general protein representations and achieved promising performance in various downstream applications. However, these works were…

机器学习 · 计算机科学 2024-12-31 Hanjing Zhou , Mingze Yin , Wei Wu , Mingyang Li , Kun Fu , Jintai Chen , Jian Wu , Zheng Wang

Prompt learning is a powerful technique for transferring Vision-Language Models (VLMs) such as CLIP to downstream tasks. However, the prompt-based methods that are fine-tuned solely with base classes may struggle to generalize to novel…

计算机视觉与模式识别 · 计算机科学 2023-12-08 Mushui Liu , Weijie He , Ziqian Lu , Yunlong Yu

RNA/protein interactions play crucial roles in controlling gene expression. They are becoming important targets for pharmaceutical applications. Due to RNA flexibility and to the strength of electrostatic interactions, standard docking…

生物大分子 · 定量生物学 2013-07-23 Trang N. Do , Paolo Carloni , Gabriele Varani , Giovanni Bussi

Isoform quantification is an important goal of RNA-seq experiments, yet it remains prob- lematic for genes with low expression or several isoforms. These difficulties may in principle be ameliorated by exploiting correlated experimental…

基因组学 · 定量生物学 2016-02-23 Yuanhua Huang , Guido Sanguinetti

In the face of rapidly accumulating genomic data, our understanding of the RNA regulatory code remains incomplete. Recent self-supervised methods in other domains have demonstrated the ability to learn rules underlying the data-generating…

机器学习 · 计算机科学 2023-10-18 Philip Fradkin , Ruian Shi , Bo Wang , Brendan Frey , Leo J. Lee

Motivation: Alternative splicing is an important mechanism in which the regions of pre-mRNAs are differentially joined in order to form different transcript isoforms. Alternative splicing is involved in the regulation of normal…

定量方法 · 定量生物学 2016-05-26 Hande Topa , Antti Honkela

The development of novel high-throughput sequencing (HTS) methods for RNA (RNA-Seq) has provided a very powerful mean to study splicing under multiple conditions at unprecedented depth. However, the complexity of the information to be…

基因组学 · 定量生物学 2015-08-03 Gael P. Alamancos , Eneritz Agirre , Eduardo Eyras

Alternative splicing is crucial in gene regulation, with significant implications in clinical settings and biotechnology. This review article compiles bioinformatics RNA-seq tools for investigating differential splicing; offering a detailed…

基因组学 · 定量生物学 2024-09-10 Ben J Draper , Mark J Dunning , David C James

Virtual screening aims to efficiently identify active ligands from massive chemical libraries for a given target pocket. Recent CLIP-style models such as DrugCLIP enable scalable virtual screening by embedding pockets and ligands into a…

机器学习 · 计算机科学 2026-02-18 Anjie Qiao , Zhen Wang , Yaliang Li , Jiahua Rao , Yuedong Yang

Contrastive Language-Image Pretraining (CLIP) has emerged as a novel paradigm to learn visual models from language supervision. While researchers continue to push the frontier of CLIP, reproducing these works remains challenging. This is…

计算机视觉与模式识别 · 计算机科学 2022-03-14 Yufeng Cui , Lichen Zhao , Feng Liang , Yangguang Li , Jing Shao

RNA-Seq technology allows for studying the transcriptional state of the cell at an unprecedented level of detail. Beyond quantification of whole-gene expression, it is now possible to disentangle the abundance of individual alternatively…

基因组学 · 定量生物学 2012-10-11 Barbara Rakitsch , Christoph Lippert , Hande Topa , Karsten Borgwardt , Antti Honkela , Oliver Stegle

Rapidly growing public gene expression databases contain a wealth of data for building an unprecedentedly detailed picture of human biology and disease. This data comes from many diverse measurement platforms that make integrating it all…

基因组学 · 定量生物学 2014-10-16 Karolis Uziela , Antti Honkela

The recent advancements in Generative Adversarial Networks (GANs) and the emergence of Diffusion models have significantly streamlined the production of highly realistic and widely accessible synthetic content. As a result, there is a…

计算机视觉与模式识别 · 计算机科学 2024-02-21 Sohail Ahmed Khan , Duc-Tien Dang-Nguyen

Molecular phenotyping by gene expression profiling is common in contemporary cancer research and in molecular diagnostics. However, molecular profiling remains costly and resource intense to implement, and is just starting to be introduced…

计算机视觉与模式识别 · 计算机科学 2023-09-04 Philippe Weitz , Yinxi Wang , Kimmo Kartasalo , Lars Egevad , Johan Lindberg , Henrik Grönberg , Martin Eklund , Mattias Rantalainen

Background:Typically, proteins perform key biological functions by interacting with each other. As a consequence, predicting which protein pairs interact is a fundamental problem. Experimental methods are slow, expensive, and may be error…

生物大分子 · 定量生物学 2022-02-08 Leonardo Martini , Adriano Fazzone , Luca Becchetti

Protein-DNA interaction is critical for life activities such as replication, transcription, and splicing. Identifying protein-DNA binding residues is essential for modeling their interaction and downstream studies. However, developing…

生物大分子 · 定量生物学 2023-06-29 Yufan Liu , Boxue Tian

Identification and quantification of condition-specific transcripts using RNA-Seq is vital in transcriptomics research. While initial efforts using mathematical or statistical modeling of read counts or per-base exonic signal have been…

定量方法 · 定量生物学 2013-02-26 Tin Chi Nguyen , Nan Deng , Dongxiao Zhu

Computational screening of naturally occurring proteins has the potential to identify efficient catalysts among the hundreds of millions of sequences that remain uncharacterized. Current experimental methods remain time, cost and labor…

定量方法 · 定量生物学 2024-02-13 Peter G. Mikhael , Itamar Chinn , Regina Barzilay
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