Artificial intelligence to deep learning: machine intelligence approach for drug discovery

R Gupta, D Srivastava, M Sahu, S Tiwari, RK Ambasta… - Molecular …, 2021 - Springer
Drug designing and development is an important area of research for pharmaceutical
companies and chemical scientists. However, low efficacy, off-target delivery, time …

Machine learning for synergistic network pharmacology: a comprehensive overview

F Noor, M Asif, UA Ashfaq, M Qasim… - Briefings in …, 2023 - academic.oup.com
Network pharmacology is an emerging area of systematic drug research that attempts to
understand drug actions and interactions with multiple targets. Network pharmacology has …

Mutations strengthened SARS-CoV-2 infectivity

J Chen, R Wang, M Wang, GW Wei - Journal of molecular biology, 2020 - Elsevier
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infectivity is a major
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

CHM Rodrigues, DEV Pires, DB Ascher - Protein Science, 2021 - Wiley Online Library
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 …

DynaMut: predicting the impact of mutations on protein conformation, flexibility and stability

CHM Rodrigues, DEV Pires… - Nucleic acids research, 2018 - academic.oup.com
Proteins are highly dynamic molecules, whose function is intrinsically linked to their
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 …

mCSM-PPI2: predicting the effects of mutations on protein–protein interactions

CHM Rodrigues, Y Myung, DEV Pires… - Nucleic acids …, 2019 - academic.oup.com
Protein–protein Interactions are involved in most fundamental biological processes, with
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 …

Genome-wide analysis of multi- and extensively drug-resistant Mycobacterium tuberculosis

F Coll, J Phelan, GA Hill-Cawthorne, MB Nair… - Nature …, 2018 - nature.com
To characterize the genetic determinants of resistance to antituberculosis drugs, we
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

N Zhang, Y Chen, H Lu, F Zhao, RV Alvarez… - Iscience, 2020 - cell.com
Missense mutations may affect proteostasis by destabilizing or over-stabilizing protein
complexes and changing the pathway flux. Predicting the effects of stabilizing mutations on …