相关论文: A two-stage learning method for protein-protein in…

In this paper, we propose a new progressive pre-training method for image understanding tasks which leverages RGB-D datasets. The method utilizes Multi-Modal Contrastive Masked Autoencoder and Denoising techniques. Our proposed approach…

Protein-ligand interactions (PLIs) are fundamental to biochemical research and their identification is crucial for estimating biophysical and biochemical properties for rational therapeutic design. Currently, experimental characterization…

Cellular functions are based on the complex interplay of proteins, therefore the structure and dynamics of these protein-protein interaction (PPI) networks are the key to the functional understanding of cells. In the last years, large-scale…

Proteins are the main workhorses of biological functions in a cell, a tissue, or an organism. Identification and quantification of proteins in a given sample, e.g. a cell type under normal/disease conditions, are fundamental tasks for the…

The task of drug-target interaction prediction holds significant importance in pharmacology and therapeutic drug design. In this paper, we present FRnet-DTI, an auto encoder and a convolutional classifier for feature manipulation and drug…

Prediction of protein-ligand interactions (PLI) plays a crucial role in drug discovery as it guides the identification and optimization of molecules that effectively bind to target proteins. Despite remarkable advances in deep…

Protein activity is a significant characteristic for recombinant proteins which can be used as biocatalysts. High activity of proteins reduces the cost of biocatalysts. A model that can predict protein activity from amino acid sequence is…

Unsupervised learning is of growing interest because it unlocks the potential held in vast amounts of unlabelled data to learn useful representations for inference. Autoencoders, a form of generative model, may be trained by learning to…

We present a novel dual-head deep learning architecture for protein-protein interaction modeling that enables simultaneous prediction of binding affinity ($\Delta G$) and mutation-induced affinity changes ($\Delta\Delta G$) using only…

Proteins encode diverse functions within complex three-dimensional structures, yet most deep learning representations remain highly entangled, obscuring the biophysical signals that underlie function. Here we introduce ProtDiS, a…

Recent advances in Natural Language Processing (NLP) have ignited interest in developing effective methods for predicting protein-ligand interactions (PLIs) given their relevance to drug discovery and protein engineering efforts and the…

Prediction-Powered Inference (PPI) is a recently proposed statistical inference technique for parameter estimation that leverages pseudo-labels on both labeled and unlabeled data to construct an unbiased, low-variance estimator. In this…

De novo peptide sequencing from mass spectrometry (MS) data is a critical task in proteomics research. Traditional de novo algorithms have encountered a bottleneck in accuracy due to the inherent complexity of proteomics data. While deep…

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…

It has been witnessed that learned image compression has outperformed conventional image coding techniques and tends to be practical in industrial applications. One of the most critical issues that need to be considered is the…

Motivated by applications in protein function prediction, we consider a challenging supervised classification setting in which positive labels are scarce and there are no explicit negative labels. The learning algorithm must thus select…

Existing RNN-based approaches for action recognition from depth sequences require either skeleton joints or hand-crafted depth features as inputs. An end-to-end manner, mapping from raw depth maps to action classes, is non-trivial to design…

We propose to directly compute classification estimates by learning features encoded with their class scores using PCA. Our resulting model has a encoder-decoder structure suitable for supervised learning, it is computationally efficient…

Self-supervised contrastive learning is an effective approach for addressing the challenge of limited labelled data. This study builds upon the previously established two-stage patch-level, multi-label classification method for…

Protein can be represented by amino acid interaction network. This network is a graph whose vertices are the proteins amino acids and whose edges are the interactions between them. This interaction network is the first step of proteins…