Physics-inspired structural representations for molecules and materials

F Musil, A Grisafi, AP Bartók, C Ortner… - Chemical …, 2021 - ACS Publications
The first step in the construction of a regression model or a data-driven analysis, aiming to
predict or elucidate the relationship between the atomic-scale structure of matter and its …

NPS@: network protein sequence analysis

C Combet, C Blanchet, C Geourjon… - Trends in biochemical …, 2000 - cell.com
Acknowledgements We thank H. Pospiech, R. Smith, F. Grosse and S. Hasan for critical
reading of the manuscript and for help with the artwork. UH has been supported by the …

Explainable deep hypergraph learning modeling the peptide secondary structure prediction

Y Jiang, R Wang, J Feng, J Jin, S Liang, Z Li… - Advanced …, 2023 - Wiley Online Library
Accurately predicting peptide secondary structures remains a challenging task due to the
lack of discriminative information in short peptides. In this study, PHAT is proposed, a deep …

Protein secondary structure prediction based on position-specific scoring matrices

DT Jones - Journal of molecular biology, 1999 - Elsevier
A two-stage neural network has been used to predict protein secondary structure based on
the position specific scoring matrices generated by PSI-BLAST. Despite the simplicity and …

IKK-γ is an essential regulatory subunit of the IκB kinase complex

DM Rothwarf, E Zandi, G Natoli, M Karin - Nature, 1998 - nature.com
Pro-inflammatory cytokines activate the transcription factor NF-κB by stimulating the activity
of a protein kinase that phosphorylates IκB, an inhibitor of NF-κB,,,,, at sites that trigger its …

Evaluation and improvement of multiple sequence methods for protein secondary structure prediction

JA Cuff, GJ Barton - Proteins: Structure, Function, and …, 1999 - Wiley Online Library
A new dataset of 396 protein domains is developed and used to evaluate the performance of
the protein secondary structure prediction algorithms DSC, PHD, NNSSP, and PREDATOR …

PRALINE: a multiple sequence alignment toolbox that integrates homology-extended and secondary structure information

VA Simossis, J Heringa - Nucleic acids research, 2005 - academic.oup.com
PRofile ALIgNEment (PRALINE) is a fully customizable multiple sequence alignment
application. In addition to a number of available alignment strategies, PRALINE can …

Application of multiple sequence alignment profiles to improve protein secondary structure prediction

JA Cuff, GJ Barton - Proteins: Structure, Function, and …, 2000 - Wiley Online Library
The effect of training a neural network secondary structure prediction algorithm with different
types of multiple sequence alignment profiles derived from the same sequences, is shown to …

Optimizing long intrinsic disorder predictors with protein evolutionary information

K Peng, S Vucetic, P Radivojac, CJ Brown… - … of bioinformatics and …, 2005 - World Scientific
Protein existing as an ensemble of structures, called intrinsically disordered, has been
shown to be responsible for a wide variety of biological functions and to be common in …

Computational prediction of associations between long non-coding RNAs and proteins

Q Lu, S Ren, M Lu, Y Zhang, D Zhu, X Zhang, T Li - BMC genomics, 2013 - Springer
Background Though most of the transcripts are long non-coding RNAs (lncRNAs), little is
known about their functions. lncRNAs usually function through interactions with proteins …