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AI in drug discovery and its clinical relevance
The COVID-19 pandemic has emphasized the need for novel drug discovery process.
However, the journey from conceptualizing a drug to its eventual implementation in clinical …
However, the journey from conceptualizing a drug to its eventual implementation in clinical …
Why are there hotspot mutations in the TP53 gene in human cancers?
The p53 gene contains homozygous mutations in~ 50–60% of human cancers. About 90%
of these mutations encode missense mutant proteins that span~ 190 different codons …
of these mutations encode missense mutant proteins that span~ 190 different codons …
Folding non-homologous proteins by coupling deep-learning contact maps with I-TASSER assembly simulations
Structure prediction for proteins lacking homologous templates in the Protein Data Bank
(PDB) remains a significant unsolved problem. We developed a protocol, CI-TASSER, to …
(PDB) remains a significant unsolved problem. We developed a protocol, CI-TASSER, to …
Modeling protein quaternary structure of homo-and hetero-oligomers beyond binary interactions by homology
Cellular processes often depend on interactions between proteins and the formation of
macromolecular complexes. The impairment of such interactions can lead to deregulation of …
macromolecular complexes. The impairment of such interactions can lead to deregulation of …
Accurate de novo prediction of protein contact map by ultra-deep learning model
Motivation Protein contacts contain key information for the understanding of protein structure
and function and thus, contact prediction from sequence is an important problem. Recently …
and function and thus, contact prediction from sequence is an important problem. Recently …
Coarse-grained protein models and their applications
The traditional computational modeling of protein structure, dynamics, and interactions
remains difficult for many protein systems. It is mostly due to the size of protein …
remains difficult for many protein systems. It is mostly due to the size of protein …
I-TASSER server: new development for protein structure and function predictions
The I-TASSER server (http://zhanglab. ccmb. med. umich. edu/I-TASSER) is an online
resource for automated protein structure prediction and structure-based function annotation …
resource for automated protein structure prediction and structure-based function annotation …
DeepGO: predicting protein functions from sequence and interactions using a deep ontology-aware classifier
Motivation A large number of protein sequences are becoming available through the
application of novel high-throughput sequencing technologies. Experimental functional …
application of novel high-throughput sequencing technologies. Experimental functional …
Protein secondary structure prediction using deep convolutional neural fields
Protein secondary structure (SS) prediction is important for studying protein structure and
function. When only the sequence (profile) information is used as input feature, currently the …
function. When only the sequence (profile) information is used as input feature, currently the …
Protein structure and function prediction using I‐TASSER
I‐TASSER is a hierarchical protocol for automated protein structure prediction and structure‐
based function annotation. Starting from the amino acid sequence of target proteins, I …
based function annotation. Starting from the amino acid sequence of target proteins, I …