Frontiers in Bioinformatics | Drug Discovery in Bioinformatics

Original Research

Published on 09 Aug 2024

In silico studies of benzothiazole derivatives as potential inhibitors of Anopheles funestus and Anopheles gambiae trehalase

in Drug Discovery in Bioinformatics

Temitope A. Ogunnupebi
Gbolahan O. Oduselu
Oluwadunni F. Elebiju
Olayinka O. Ajani
Ezekiel Adebiyi

Frontiers in Bioinformatics

doi 10.3389/fbinf.2024.1428539

1,397 views

Editorial

Published on 09 Aug 2024

Editorial: Machine learning approaches to antimicrobials: discovery and resistance

in Drug Discovery in Bioinformatics

Shira L. Broschat
Shirley W. I. Siu
Cesar de la Fuente-Nunez

Frontiers in Bioinformatics

doi 10.3389/fbinf.2024.1458237

1,585 views

Original Research

Published on 08 Apr 2024

Prediction of polyspecificity from antibody sequence data by machine learning

in Drug Discovery in Bioinformatics

Szabolcs Éliás
Clemens Wrzodek
Charlotte M. Deane
Alain C. Tissot
Stefan Klostermann
Francesca Ros

Frontiers in Bioinformatics

doi 10.3389/fbinf.2023.1286883

4,380 views
3 citations

Methods

Published on 08 Mar 2024

A network-based method for associating genes with autism spectrum disorder

in Drug Discovery in Bioinformatics

Neta Zadok
Gil Ast
Roded Sharan

Frontiers in Bioinformatics

doi 10.3389/fbinf.2024.1295600

1,530 views

Technology and Code

Published on 10 Jan 2024

BPAGS: a web application for bacteriocin prediction via feature evaluation using alternating decision tree, genetic algorithm, and linear support vector classifier

in Drug Discovery in Bioinformatics

Suraiya Akhter
John H. Miller

Frontiers in Bioinformatics

doi 10.3389/fbinf.2023.1284705

3,537 views
6 citations

Original Research

Published on 09 Nov 2023

An algorithm for drug discovery based on deep learning with an example of developing a drug for the treatment of lung cancer

in Drug Discovery in Bioinformatics

Dmitrii K. Chebanov
Vsevolod A. Misyurin
Irina Zh. Shubina

Frontiers in Bioinformatics

doi 10.3389/fbinf.2023.1225149

2,892 views
3 citations

Editorial

Published on 12 Sep 2023

Editorial: Recent advances in peptide informatics: challenges and opportunities

in Drug Discovery in Bioinformatics

Rahul Kumar
Kumardeep Chaudhary
Sandeep Kumar Dhanda

Frontiers in Bioinformatics

doi 10.3389/fbinf.2023.1271932

1,376 views

Mini Review

Published on 13 Jul 2023

Geometric deep learning as a potential tool for antimicrobial peptide prediction

in Drug Discovery in Bioinformatics

Fabiano C. Fernandes
Marlon H. Cardoso
Abel Gil-Ley
Lívia V. Luchi
Maria G. L. da Silva
Maria L. R. Macedo
Cesar de la Fuente-Nunez
Octavio L. Franco

Frontiers in Bioinformatics

doi 10.3389/fbinf.2023.1216362

6,275 views
23 citations

Original Research

Published on 07 Jun 2023

Human adenovirus DNA polymerase is evolutionarily and functionally associated with human telomerase reverse transcriptase based on in silico molecular characterization that implicate abacavir and zidovudine

in Drug Discovery in Bioinformatics

Toluwase Hezekiah Fatoki

Frontiers in Bioinformatics

doi 10.3389/fbinf.2023.1123307

2,821 views
8 citations

Original Research

Published on 26 May 2023

Helix encoder: a compound-protein interaction prediction model specifically designed for class A GPCRs

in Drug Discovery in Bioinformatics

Haruki Yamane
Takashi Ishida

Frontiers in Bioinformatics

doi 10.3389/fbinf.2023.1193025

2,079 views
2 citations

Brief Research Report

Published on 23 May 2023

BrcaDx: precise identification of breast cancer from expression data using a minimal set of features

in Drug Discovery in Bioinformatics

Sangeetha Muthamilselvan
Ashok Palaniappan

Frontiers in Bioinformatics

doi 10.3389/fbinf.2023.1103493

2,718 views
3 citations

Original Research

Published on 12 Apr 2023

Molecular modeling, simulation and docking of Rv1250 protein from Mycobacterium tuberculosis

in Drug Discovery in Bioinformatics

Sumita Choudhary
Anup Kumar Kesavan
Vijay Juneja
Sheetal Thakur

Frontiers in Bioinformatics

doi 10.3389/fbinf.2023.1125479

6,064 views
14 citations

Opinion

Published on 23 Feb 2023

Perspective on the challenges and opportunities of accelerating drug discovery with artificial intelligence

in Drug Discovery in Bioinformatics

John P. Santa Maria
Yuan Wang
Luiz Miguel Camargo

Frontiers in Bioinformatics

doi 10.3389/fbinf.2023.1121591

7,497 views
15 citations

Original Research

Published on 13 Jan 2023

Comprehensive genome-scale metabolic model of the human pathogen Cryptococcus neoformans: A platform for understanding pathogen metabolism and identifying new drug targets

in Drug Discovery in Bioinformatics

Enes Fahri Tezcan
Yigit Demirtas
Zeynep Petek Cakar
Kutlu O. Ulgen

Frontiers in Bioinformatics

doi 10.3389/fbinf.2023.1121409

3,271 views
8 citations

Perspective

Published on 16 Dec 2022

Machine learning methods for protein-protein binding affinity prediction in protein design

in Drug Discovery in Bioinformatics

Zhongliang Guo
Rui Yamaguchi

Frontiers in Bioinformatics

doi 10.3389/fbinf.2022.1065703

17,186 views
24 citations

Review

Published on 20 Oct 2022

Advances in antibody discovery from human BCR repertoires

in Drug Discovery in Bioinformatics

Zichang Xu
Hendra S. Ismanto
Hao Zhou
Dianita S. Saputri
Fuminori Sugihara
Daron M. Standley

Frontiers in Bioinformatics

doi 10.3389/fbinf.2022.1044975

9,838 views
5 citations