Deep learning for computational chemistry
The rise and fall of artificial neural networks is well documented in the scientific literature of
both computer science and computational chemistry. Yet almost two decades later, we are …
both computer science and computational chemistry. Yet almost two decades later, we are …
Modeling aspects of the language of life through transfer-learning protein sequences
Background Predicting protein function and structure from sequence is one important
challenge for computational biology. For 26 years, most state-of-the-art approaches …
challenge for computational biology. For 26 years, most state-of-the-art approaches …
Machine learning methods for protein structure prediction
Machine learning methods are widely used in bioinformatics and computational and
systems biology. Here, we review the development of machine learning methods for protein …
systems biology. Here, we review the development of machine learning methods for protein …
PredictProtein—an open resource for online prediction of protein structural and functional features
G Yachdav, E Kloppmann, L Kajan… - Nucleic acids …, 2014 - academic.oup.com
PredictProtein is a meta-service for sequence analysis that has been predicting structural
and functional features of proteins since 1992. Queried with a protein sequence it returns …
and functional features of proteins since 1992. Queried with a protein sequence it returns …
PSICOV: precise structural contact prediction using sparse inverse covariance estimation on large multiple sequence alignments
Motivation: The accurate prediction of residue–residue contacts, critical for maintaining the
native fold of a protein, remains an open problem in the field of structural bioinformatics …
native fold of a protein, remains an open problem in the field of structural bioinformatics …
SNAP: predict effect of non-synonymous polymorphisms on function
Y Bromberg, B Rost - Nucleic acids research, 2007 - academic.oup.com
Many genetic variations are single nucleotide polymorphisms (SNPs). Non-synonymous
SNPs are 'neutral'if the resulting point-mutated protein is not functionally discernible from the …
SNPs are 'neutral'if the resulting point-mutated protein is not functionally discernible from the …
Deep architectures for protein contact map prediction
Motivation: Residue–residue contact prediction is important for protein structure prediction
and other applications. However, the accuracy of current contact predictors often barely …
and other applications. However, the accuracy of current contact predictors often barely …
[图书][B] Structure and function of intrinsically disordered proteins
The existence and functioning of intrinsically disordered proteins (IDPs) challenge the
classical structure-function paradigm that equates function with a well-defined 3D structure …
classical structure-function paradigm that equates function with a well-defined 3D structure …
ROSEFW-RF: the winner algorithm for the ECBDL'14 big data competition: an extremely imbalanced big data bioinformatics problem
The application of data mining and machine learning techniques to biological and
biomedicine data continues to be an ubiquitous research theme in current bioinformatics …
biomedicine data continues to be an ubiquitous research theme in current bioinformatics …
Improved residue contact prediction using support vector machines and a large feature set
Background Predicting protein residue-residue contacts is an important 2D prediction task. It
is useful for ab initio structure prediction and understanding protein folding. In spite of steady …
is useful for ab initio structure prediction and understanding protein folding. In spite of steady …