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Artificial intelligence to deep learning: machine intelligence approach for drug discovery
Drug designing and development is an important area of research for pharmaceutical
companies and chemical scientists. However, low efficacy, off-target delivery, time …
companies and chemical scientists. However, low efficacy, off-target delivery, time …
Machine learning for synergistic network pharmacology: a comprehensive overview
Network pharmacology is an emerging area of systematic drug research that attempts to
understand drug actions and interactions with multiple targets. Network pharmacology has …
understand drug actions and interactions with multiple targets. Network pharmacology has …
Mutations strengthened SARS-CoV-2 infectivity
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infectivity is a major
concern in coronavirus disease 2019 (COVID-19) prevention and economic reopening …
concern in coronavirus disease 2019 (COVID-19) prevention and economic reopening …
DynaMut2: Assessing changes in stability and flexibility upon single and multiple point missense mutations
Predicting the effect of missense variations on protein stability and dynamics is important for
understanding their role in diseases, and the link between protein structure and function …
understanding their role in diseases, and the link between protein structure and function …
DynaMut: predicting the impact of mutations on protein conformation, flexibility and stability
Proteins are highly dynamic molecules, whose function is intrinsically linked to their
molecular motions. Despite the pivotal role of protein dynamics, their computational …
molecular motions. Despite the pivotal role of protein dynamics, their computational …
Diverse molecular mechanisms underlying pathogenic protein mutations: beyond the loss-of-function paradigm
L Backwell, JA Marsh - Annual review of genomics and human …, 2022 - annualreviews.org
Most known disease-causing mutations occur in protein-coding regions of DNA. While some
of these involve a loss of protein function (eg, through premature stop codons or missense …
of these involve a loss of protein function (eg, through premature stop codons or missense …
mCSM-PPI2: predicting the effects of mutations on protein–protein interactions
Protein–protein Interactions are involved in most fundamental biological processes, with
disease causing mutations enriched at their interfaces. Here we present mCSM-PPI2, a …
disease causing mutations enriched at their interfaces. Here we present mCSM-PPI2, a …
SDM: a server for predicting effects of mutations on protein stability
AP Pandurangan, B Ochoa-Montano… - Nucleic acids …, 2017 - academic.oup.com
Here, we report a webserver for the improved SDM, used for predicting the effects of
mutations on protein stability. As a pioneering knowledge-based approach, SDM has been …
mutations on protein stability. As a pioneering knowledge-based approach, SDM has been …
Genome-wide analysis of multi- and extensively drug-resistant Mycobacterium tuberculosis
To characterize the genetic determinants of resistance to antituberculosis drugs, we
performed a genome-wide association study (GWAS) of 6,465 Mycobacterium tuberculosis …
performed a genome-wide association study (GWAS) of 6,465 Mycobacterium tuberculosis …
MutaBind2: predicting the impacts of single and multiple mutations on protein-protein interactions
Missense mutations may affect proteostasis by destabilizing or over-stabilizing protein
complexes and changing the pathway flux. Predicting the effects of stabilizing mutations on …
complexes and changing the pathway flux. Predicting the effects of stabilizing mutations on …