Mechanism of activation and the rewired network: new drug design concepts
R Nussinov, M Zhang, R Maloney… - Medicinal research …, 2022 - Wiley Online Library
Precision oncology benefits from effective early phase drug discovery decisions. Recently,
drugging inactive protein conformations has shown impressive successes, raising the …
drugging inactive protein conformations has shown impressive successes, raising the …
Fano-resonant, asymmetric, metamaterial-assisted tweezers for single nanoparticle trapping
Plasmonic nanostructures overcome Abbe's diffraction limit to create strong gradient electric
fields, enabling efficient optical trapping of nanoparticles. However, it remains challenging to …
fields, enabling efficient optical trapping of nanoparticles. However, it remains challenging to …
Identification of discriminative gene-level and protein-level features associated with pathogenic gain-of-function and loss-of-function variants
Identifying whether a given genetic mutation results in a gene product with increased (gain-
of-function; GOF) or diminished (loss-of-function; LOF) activity is an important step toward …
of-function; GOF) or diminished (loss-of-function; LOF) activity is an important step toward …
Alteration of exon definition causes amelogenesis imperfecta
YJ Kim, J Kang, F Seymen, M Koruyucu… - Journal of dental …, 2020 - journals.sagepub.com
Amelogenesis imperfecta (AI) is a collection of genetic disorders affecting the quality and/or
quantity of tooth enamel. More than 20 genes are, so far, known to be responsible for this …
quantity of tooth enamel. More than 20 genes are, so far, known to be responsible for this …
PKAD-2: new entries and expansion of functionalities of the database of experimentally measured pKa's of proteins
Almost all biological reactions are pH-dependent and understanding the origin of pH
dependence requires knowledge of the pKa's of ionizable groups. Here, we report a new …
dependence requires knowledge of the pKa's of ionizable groups. Here, we report a new …
Characterization of human frataxin missense variants in cancer tissues
Human frataxin is an iron‐binding protein involved in the mitochondrial iron–sulfur (Fe–S)
clusters assembly, a process fundamental for the functional activity of mitochondrial proteins …
clusters assembly, a process fundamental for the functional activity of mitochondrial proteins …
GraphDTI: a robust deep learning predictor of drug-target interactions from multiple heterogeneous data
Traditional techniques to identify macromolecular targets for drugs utilize solely the
information on a query drug and a putative target. Nonetheless, the mechanisms of action of …
information on a query drug and a putative target. Nonetheless, the mechanisms of action of …
An ensemble approach to predict the pathogenicity of synonymous variants
S Ranganathan Ganakammal, E Alexov - Genes, 2020 - mdpi.com
Single-nucleotide variants (SNVs) are a major form of genetic variation in the human
genome that contribute to various disorders. There are two types of SNVs, namely non …
genome that contribute to various disorders. There are two types of SNVs, namely non …
Evaluation of performance of leading algorithms for variant pathogenicity predictions and designing a combinatory predictor method: application to Rett syndrome …
SR Ganakammal, E Alexov - PeerJ, 2019 - peerj.com
Background Genomics diagnostic tests are done for a wide spectrum of complex genetics
conditions such as autism and cancer. The growth of technology has not only aided in …
conditions such as autism and cancer. The growth of technology has not only aided in …
Protein structure, dynamics and assembly: Implications for drug discovery
Most of the therapeutic drugs available in the market today, are targeted against proteins.
Drug molecules are designed to complement shape, size and electrostatic fingerprints of the …
Drug molecules are designed to complement shape, size and electrostatic fingerprints of the …