Drug-target interactions (DTI) prediction is a crucial task in drug discovery. Existing computational methods accelerate the drug discovery in this respect. However, most of them suffer from low feature representation ability, significantly affecting...
B-Cell epitopes (BCEs) can identify and bind with receptor proteins (antigens) to initiate an immune response against pathogens. Understanding antigen-antibody binding interactions has many applications in biotechnology and biomedicine, including des...
Advances in high-throughput DNA synthesis and sequencing have fuelled the use of massively parallel reporter assays for strain characterization. These experiments produce large datasets that map DNA sequences to protein expression levels, and have sp...
Cutting-edge technologies such as genome editing and synthetic biology allow us to produce novel foods and functional proteins. However, their toxicity and allergenicity must be accurately evaluated. It is known that specific amino acid sequences in ...
As a result of evolutionary selection, the subunits of naturally occurring protein assemblies often fit together with substantial shape complementarity to generate architectures optimal for function in a manner not achievable by current design approa...
Journal of chemical information and modeling
Apr 19, 2023
Advances in deep neural networks (DNNs) have made a very powerful machine learning method available to researchers across many fields of study, including the biomedical and cheminformatics communities, where DNNs help to improve tasks such as protein...
Proteins are essential molecular building blocks of life, responsible for most biological functions as a result of their specific molecular interactions. However, predicting their binding interfaces remains a challenge. In this study, we present a ...
The discovery of functional protein complex and the interrogation of the complex structure-function relationship (SFR) play crucial roles in the understanding and intervention of biological processes. Affinity purification-mass spectrometry (AP-MS) h...
European journal of medicinal chemistry
Apr 15, 2023
The gaining importance of Targeted Protein Degradation (TPD) and PROTACs (PROteolysis-TArgeting Chimeras) have drawn the scientific community's attention. PROTACs are considered bifunctional robots owing to their avidity for the protein of interest (...
Journal of chemical information and modeling
Apr 14, 2023
Allosteric modulators are important regulation elements that bind the allosteric site beyond the active site, leading to the changes in dynamic and/or thermodynamic properties of the protein. Allosteric modulators have been a considerable interest as...
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