Improved genome-scale multi-target virtual screening via a novel collaborative filtering approach to cold-start problem

H Lim, P Gray, L Xie, A Poleksic - Scientific reports, 2016 - nature.com
… of multi-scale modeling, drug targets are first predicted on a genome scale. Then these
drug … the current issues facing the drug industry with near empty pipelines and costly post-market …

Computer-aided tuberculosis diagnosis with attribute reasoning assistance

C Pan, G Zhao, J Fang, B Qi, J Liu, C Fang… - … Conference on Medical …, 2022 - Springer
… Second, we exploit a multi-scale feature interaction model for TB area classification and …
the weakly supervised tuberculosis detection from chest X-rays. The pipeline of our proposed …

An integrated workflow for proteome-wide off-target identification and polypharmacology drug design

T Evangelidis, L Xie - Tsinghua Science and Technology, 2014 - ieeexplore.ieee.org
… to treat multi-drug and extremely drug resistance tuberculosis[13] … -wide Off-target Pipeline
(POP) that will facilitate drug off-target … focuses on multi-scale modeling of causal genotype-…

… high content screening assay for discovery of antimycobacterial compounds based on primary human macrophages infected with virulent Mycobacterium tuberculosis

S Kalsum, M Otrocka, B Andersson, A Welin, T Schön… - Tuberculosis, 2022 - Elsevier
Drug resistance in Mycobacterium tuberculosis is an emerging threat that makes the discovery
of new candidate drugs … Filling the pipeline with new antimycobacterial drug candidates …

The expanding computational toolbox for engineering microbial phenotypes at the genome scale

DC Zielinski, A Patel, BO Palsson - Microorganisms, 2020 - mdpi.com
Multi-scale models accounting for kinetics and thermodynamics have begun to emerge
as … The pipeline and software, ssbio, is available for use on GitHub (http://github.com/SBRG/ssbio…

Computational Systems Biology Perspective on Tuberculosis in Big Data Era: Challenges and Future Goals

AK Kahlon, A Sharma - Big Data Analytics in Bioinformatics and …, 2015 - igi-global.com
… This pipeline is expected to save enormous amounts of money, resources and time in the …
Multi-scale integration presents a major challenge due to the diversity of modeling approaches …

Rational discovery of dual-indication multi-target PDE/Kinase inhibitor for precision anti-cancer therapy using structural systems pharmacology

H Lim, D He, Y Qiu, P Krawczuk, X Sun… - PLoS computational …, 2019 - journals.plos.org
drug actions on a multi-scale, from genome-wide drug-target interactions to system level
drug … -chemical interaction prediction in the computational pipeline needs to be improved. …

The anti-tuberculosis agents under development and the challenges ahead

D Kumar, B Negi, DS Rawat - Future medicinal chemistry, 2015 - Taylor & Francis
… This review evaluates the current status of TB drug … in the anti-TB drug discovery and develop
newer drugs with new targets, … drugs available, the new drugs developed for TB and other …

Prediction of host - pathogen protein interactions between Mycobacterium tuberculosis and Homo sapiens using sequence motifs

T Huo, W Liu, Y Guo, C Yang, J Lin, Z Rao - BMC bioinformatics, 2015 - Springer
… for the treatment of TB are complex, often very long and include highly toxic drugs that have
side effects. An antibiotic course consisting of four first-line drugs like isoniazid, rifampicin, …

[PDF][PDF] Multi-scale agent-based models in immunology. A short

M Pennisi - 2021 - ceur-ws.org
… In the drug discovery pipeline, the lack of multi-scale modeling approaches able of taking …
the effects of combined immunization strategies against tuberculosis [17], and also specialized …