Advances of Deep Learning in Protein Science: A Comprehensive Survey

B Hu, C Tan, L Wu, J Zheng, J Xia, Z Gao, Z Liu… - arXiv preprint arXiv …, 2024 - arxiv.org
Protein representation learning plays a crucial role in understanding the structure and
function of proteins, which are essential biomolecules involved in various biological …

Effect of Direct and Water-Mediated Interactions on the Identification of Hotspots in Biomolecular Complexes with Multiple Subsystems

V Sladek, PV Artiushenko… - Journal of Chemical …, 2024 - ACS Publications
Identification of important residues in biochemical complexes is often a crucial step for many
problems in molecular biology and biochemistry. A method is proposed to identify hotspots …

Reactzyme: A Benchmark for Enzyme-Reaction Prediction

C Hua, B Zhong, S Luan, L Hong, G Wolf… - arXiv preprint arXiv …, 2024 - arxiv.org
Enzymes, with their specific catalyzed reactions, are necessary for all aspects of life,
enabling diverse biological processes and adaptations. Predicting enzyme functions is …

Multi-level Interaction Modeling for Protein Mutational Effect Prediction

Y Mo, X Hong, B Gao, Y Jia, Y Lan - arXiv preprint arXiv:2405.17802, 2024 - arxiv.org
Protein-protein interactions are central mediators in many biological processes. Accurately
predicting the effects of mutations on interactions is crucial for guiding the modulation of …

AlphaFold3, a secret sauce for predicting mutational effects on protein-protein interactions

W Lu, J Zhang, J Rao, Z Zhang, S Zheng - bioRxiv, 2024 - biorxiv.org
AlphaFold3 has set the new state-of-the-art in predicting protein-protein complex structures.
However, the complete picture of biomolecular interactions cannot be fully captured by static …

PINDER: The protein interaction dataset and evaluation resource

D Kovtun, M Akdel, A Goncearenco, G Zhou, G Holt… - bioRxiv, 2024 - biorxiv.org
Protein-protein interactions (PPIs) are fundamental to understanding biological processes
and play a key role in therapeutic advancements. As deep-learning docking methods for …

moPPIt: De Novo Generation of Motif-Specific Binders with Protein Language Models

T Chen, Y Zhang, P Chatterjee - bioRxiv, 2024 - biorxiv.org
The ability to precisely target specific motifs on disease-related proteins, whether conserved
epitopes on viral proteins, intrinsically disordered regions within transcription factors, or …