Use of machine learning approaches for novel drug discovery

AN Lima, EA Philot, GHG Trossini… - Expert opinion on …, 2016 - Taylor & Francis
abstract Introduction: The use of computational tools in the early stages of drug development
has increased in recent decades. Machine learning (ML) approaches have been of special …

The IS6 family, a clinically important group of insertion sequences including IS26

A Varani, S He, P Siguier, K Ross, M Chandler - Mobile Dna, 2021 - Springer
The IS 6 family of bacterial and archaeal insertion sequences, first identified in the early
1980s, has proved to be instrumental in the rearrangement and spread of multiple antibiotic …

Prottrans: Toward understanding the language of life through self-supervised learning

A Elnaggar, M Heinzinger, C Dallago… - IEEE transactions on …, 2021 - ieeexplore.ieee.org
Computational biology and bioinformatics provide vast data gold-mines from protein
sequences, ideal for Language Models (LMs) taken from Natural Language Processing …

Beyond shielding: the roles of glycans in the SARS-CoV-2 spike protein

L Casalino, Z Gaieb, JA Goldsmith, CK Hjorth… - ACS central …, 2020 - ACS Publications
The ongoing COVID-19 pandemic caused by severe acute respiratory syndrome
coronavirus 2 (SARS-CoV-2) has resulted in more than 28,000,000 infections and 900,000 …

Human gut bacteria produce ΤΗ17-modulating bile acid metabolites

D Paik, L Yao, Y Zhang, S Bae, GD D'Agostino… - Nature, 2022 - nature.com
The microbiota modulates gut immune homeostasis. Bacteria influence the development
and function of host immune cells, including T helper cells expressing interleukin-17A (TH17 …

Comparative host-coronavirus protein interaction networks reveal pan-viral disease mechanisms

DE Gordon, J Hiatt, M Bouhaddou, VV Rezelj, S Ulferts… - Science, 2020 - science.org
INTRODUCTION The emergence of three lethal coronaviruses in< 20 years and the urgency
of the COVID-19 pandemic have prompted efforts to develop new therapeutic strategies …

A SARS-CoV-2 protein interaction map reveals targets for drug repurposing

DE Gordon, GM Jang, M Bouhaddou, J Xu, K Obernier… - Nature, 2020 - nature.com
A newly described coronavirus named severe acute respiratory syndrome coronavirus 2
(SARS-CoV-2), which is the causative agent of coronavirus disease 2019 (COVID-19), has …

Evaluating protein transfer learning with TAPE

R Rao, N Bhattacharya, N Thomas… - Advances in neural …, 2019 - proceedings.neurips.cc
Protein modeling is an increasingly popular area of machine learning research. Semi-
supervised learning has emerged as an important paradigm in protein modeling due to the …

Modeling aspects of the language of life through transfer-learning protein sequences

M Heinzinger, A Elnaggar, Y Wang, C Dallago… - BMC …, 2019 - Springer
Background Predicting protein function and structure from sequence is one important
challenge for computational biology. For 26 years, most state-of-the-art approaches …

Clustal Omega for making accurate alignments of many protein sequences

F Sievers, DG Higgins - Protein Science, 2018 - Wiley Online Library
Clustal Omega is a widely used package for carrying out multiple sequence alignment.
Here, we describe some recent additions to the package and benchmark some alternative …