[HTML][HTML] Computational prediction of protein interfaces: A review of data driven methods
Reliably pinpointing which specific amino acid residues form the interface (s) between a
protein and its binding partner (s) is critical for understanding the structural and …
protein and its binding partner (s) is critical for understanding the structural and …
Evolution of in silico strategies for protein-protein interaction drug discovery
SJY Macalino, S Basith, NAB Clavio, H Chang, S Kang… - Molecules, 2018 - mdpi.com
The advent of advanced molecular modeling software, big data analytics, and high-speed
processing units has led to the exponential evolution of modern drug discovery and better …
processing units has led to the exponential evolution of modern drug discovery and better …
Protein interface prediction using graph convolutional networks
A Fout, J Byrd, B Shariat… - Advances in neural …, 2017 - proceedings.neurips.cc
We consider the prediction of interfaces between proteins, a challenging problem with
important applications in drug discovery and design, and examine the performance of …
important applications in drug discovery and design, and examine the performance of …
A compact vocabulary of paratope-epitope interactions enables predictability of antibody-antigen binding
Antibody-antigen binding relies on the specific interaction of amino acids at the paratope-
epitope interface. The predictability of antibody-antigen binding is a prerequisite for de novo …
epitope interface. The predictability of antibody-antigen binding is a prerequisite for de novo …
SCRIBER: accurate and partner type-specific prediction of protein-binding residues from proteins sequences
Motivation Accurate predictions of protein-binding residues (PBRs) enhances understanding
of molecular-level rules governing protein–protein interactions, helps protein–protein …
of molecular-level rules governing protein–protein interactions, helps protein–protein …
End-to-end learning on 3d protein structure for interface prediction
Despite an explosion in the number of experimentally determined, atomically detailed
structures of biomolecules, many critical tasks in structural biology remain data-limited …
structures of biomolecules, many critical tasks in structural biology remain data-limited …
Deep learning of high-order interactions for protein interface prediction
Protein interactions are important in a broad range of biological processes. Traditionally,
computational methods have been developed to automatically predict protein interface from …
computational methods have been developed to automatically predict protein interface from …
BIPSPI: a method for the prediction of partner-specific protein–protein interfaces
Abstract Motivation Protein–Protein Interactions (PPI) are essentials for most cellular
processes and thus, unveiling how proteins interact is a crucial question that can be better …
processes and thus, unveiling how proteins interact is a crucial question that can be better …
[HTML][HTML] Membrane proteins structures: A review on computational modeling tools
Abstract Background Membrane proteins (MPs) play diverse and important functions in
living organisms. They constitute 20% to 30% of the known bacterial, archaean and …
living organisms. They constitute 20% to 30% of the known bacterial, archaean and …
Progress and challenges in predicting protein interfaces
The majority of biological processes are mediated via protein–protein interactions.
Determination of residues participating in such interactions improves our understanding of …
Determination of residues participating in such interactions improves our understanding of …