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Category:All Headlines World & Geopolitics Markets & Economy Tech & AI PoliticsSearch results for: "Structure-based predictio" (30 stories)

STRUMP-I: Structure-Based Machine Learning Approach to pMHC-I Binding Prediction Using Force Field Energy Features

Lead StoryScience Partner Journalsgeneral

Aug 11

STRUMP-I: Structure-Based Machine Learning Approach to pMHC-I Binding Prediction Using Force Field Energy Features

<a href="https://news.google.com/rss/articles/CBMiWkFVX3lxTE1MaFhsOUdOZ1VOd2xLeUdhSnVNMFU5eW5FY3JKMWxQRUZGNGo1N3p0ZlA4SVdNZkxzV3V1LURadVJPVnhLSUJuaXdHOGw1Ry15ZTJKWEZ1UktJZw?oc=5" target="_blank">STRUMP-I: Structure-Based Machine Learning Approach to pMHC-I Binding Prediction Using Force Field Energy Features</a>&nbsp;&nbsp;Science Partner Journals

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Search Results for "Structure-based predictio"

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Sequence-based prediction of drug–target binding using machine learning, deep learning and ensemble models without 3D structural information

Naturegeneral

Jun 12

Sequence-based prediction of drug–target binding using machine learning, deep learning and ensemble models without 3D structural information

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE1YWkZOcC1jRlRqVGFLNWxUMlc1SjlqLWxraGFZU3htUk5VSGFxa1R2MW1MMVBCMEZKR1NVOV9iNXUtSWtvZG1YeXJtU3lsZHRCb0d4a2h4TUNYS2dJdzgw?oc=5" target="_blank">Sequence-based prediction of drug–target binding using machine learning, deep learning and ensemble models without 3D structural information</a>&nbsp;&nbsp;Nature

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STRUMP-I: Structure-Based Machine Learning Approach to pMHC-I Binding Prediction Using Force Field Energy Features

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Search Results for "Structure-based predictio"

Sequence-based prediction of drug–target binding using machine learning, deep learning and ensemble models without 3D structural information

AlphaFold in Drug Discovery: What It Has and Hasn't Changed

Recent trends in machine learning and deep learning-based prediction of G-protein coupled receptor-ligand binding affinities

Making AI-based scientific predictions more trustworthy

Structure-based TCR-pMHC binding prediction and generalization to unseen peptides

Pan-prediction of MHC-II restricted epitopes across species via an AlphaFold-based quantification scheme

Structural feature-based machine learning benchmarking for protein interface prediction | Scientific Reports

Editorial: Computational protein function prediction based on sequence and/or structural data

WASP: a pipeline for functional annotation prediction based on AlphaFold structural models

FLOWR.ROOT – A flow matching-based foundation model for joint multi-purpose structure-aware 3D ligand generation and affinity prediction

Prediction of eukaryotic cellular complexity in Asgard archaea using structural modelling

Generalizable and scalable protein stability prediction with rewired protein generative models

Generalizable compound protein interaction prediction with a model incorporating protein structure aware and compound property aware language model representations

High-accuracy protein complex structure modeling based on sequence-derived structure complementarity

Navigating structure-based drug discovery with emerging innovations in physics- and knowledge-based approaches

Structure-based prediction reveals a difference in the binding mode of anti-BCMA antibodies to BCMA and soluble BCMA

Structure-based protein function prediction using graph convolutional networks

Structure-based out-of-distribution (OOD) materials property prediction: a benchmark study

Resolving data bias improves generalization in binding affinity prediction

Structure-based prediction of SARS-CoV-2 variant properties using machine learning on mutational neighborhoods

Combining Ligand- and Structure-Based Methods for More Effective Virtual Screening

Accurate prediction of protein folding mechanisms by simple structure-based statistical mechanical models

Scoring Functions for Protein-Ligand Binding Affinity Prediction Using Structure-based Deep Learning: A Review

Two sequence- and two structure-based ML models have learned different aspects of protein biochemistry

Structure-based neural network protein–carbohydrate interaction predictions at the residue level

Accurate structure prediction of biomolecular interactions with AlphaFold 3

Highly accurate protein structure prediction with AlphaFold

ScanNet: an interpretable geometric deep learning model for structure-based protein binding site prediction

Stability Oracle: a structure-based graph-transformer framework for identifying stabilizing mutations