G4-QuadScreen: A Computational Tool for Identifying Multi-Target-Directed Anticancer Leads against G-Quadruplex DNA

Impact of Applicability Domains to Generative Artificial Intelligence

(2023) Maxime Langevin et al.   ACS Omega

COCONUT online: Collection of Open Natural Products database

(2021) Maria Sorokina et al.   Journal of Cheminformatics

Beyond small molecules: targeting G-quadruplex structures with oligonucleotides and their analogues

(2021) Enrico Cadoni et al.   NUCLEIC ACIDS RESEARCH

MolGpka: A Web Server for Small Molecule pKa Prediction Using a Graph-Convolutional Neural Network

(2021) Xiaolin Pan et al.   Journal of Chemical Information and Modeling

G4LDB 2.2: a database for discovering and studying G-quadruplex and i-Motif ligands

(2021) Yu-Huan Wang et al.   NUCLEIC ACIDS RESEARCH

In silico design of telomerase inhibitors

(2020) Maciej Baginski et al.   DRUG DISCOVERY TODAY

The regulation and functions of DNA and RNA G-quadruplexes

(2020) Dhaval Varshney et al.   NATURE REVIEWS MOLECULAR CELL BIOLOGY

Developing Novel G-Quadruplex Ligands: from Interaction with Nucleic Acids to Interfering with Nucleic Acid–Protein Interaction

(2019) Zhi-Yin Sun et al.   MOLECULES

Complementary activity of tyrosine kinase inhibitors against secondary kit mutations in imatinib-resistant gastrointestinal stromal tumours

(2019) César Serrano et al.   BRITISH JOURNAL OF CANCER

QSAR-Co: An Open Source Software for Developing Robust Multitasking or Multitarget Classification-Based QSAR Models

(2019) Pravin Ambure et al.   Journal of Chemical Information and Modeling

Binding and Beyond: What Else Can G-Quadruplex Ligands Do?

(2019) Michael P. O'Hagan et al.   EUROPEAN JOURNAL OF ORGANIC CHEMISTRY

G‐Quadruplex‐Binding Small Molecule Induces Synthetic Lethality in Breast Cancer Cells by Inhibiting c‐MYC and BCL2 Expression

(2019) Rakesh Paul et al.   CHEMBIOCHEM

G-quadruplex virtual drug screening: A review

(2018) Robert C. Monsen et al.   BIOCHIMIE

Design of Modular G-quadruplex Ligands

(2018) Ana Rita Duarte et al.   ChemMedChem

Identifying natural compounds as multi-target-directed ligands against Alzheimer’s disease: an in silico approach

(2018) Pravin Ambure et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Global cancer statistics 2018: GLOBOCAN estimates of incidence and mortality worldwide for 36 cancers in 185 countries

(2018) Freddie Bray et al.   CA-A CANCER JOURNAL FOR CLINICIANS

Inforna 2.0: A Platform for the Sequence-Based Design of Small Molecules Targeting Structured RNAs

(2016) Matthew D. Disney et al.   ACS Chemical Biology

Current Challenges in Cancer Treatment

(2016) Jon Zugazagoitia et al.   CLINICAL THERAPEUTICS

Trust, but Verify II: A Practical Guide to Chemogenomics Data Curation

(2016) Denis Fourches et al.   Journal of Chemical Information and Modeling

“NanoBRIDGES” software: Open access tools to perform QSAR and nano-QSAR modeling

(2015) Pravin Ambure et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

ZINC 15 – Ligand Discovery for Everyone

(2015) Teague Sterling et al.   Journal of Chemical Information and Modeling

Multi-output model with Box–Jenkins operators of linear indices to predict multi-target inhibitors of ubiquitin–proteasome pathway

(2015) Gerardo M. Casañola-Martin et al.   MOLECULAR DIVERSITY

YASARA View—molecular graphics for all devices—from smartphones to workstations

(2014) Elmar Krieger et al.   BIOINFORMATICS

G-Quadruplex Structures and Their Interaction Diversity with Ligands

(2014) Sulin Zhang et al.   ChemMedChem

Discovery of small molecule cancer drugs: Successes, challenges and opportunities

(2012) Swen Hoelder et al.   Molecular Oncology

G4LDB: a database for discovering and studying G-quadruplex ligands

(2012) Qian Li et al.   NUCLEIC ACIDS RESEARCH

Development of a high-throughput G4-FID assay for screening and evaluation of small molecules binding quadruplex nucleic acid structures

(2011) Eric Largy et al.   ANALYTICAL AND BIOANALYTICAL CHEMISTRY

PaDEL-descriptor: An open source software to calculate molecular descriptors and fingerprints

(2010) Chun Wei Yap   JOURNAL OF COMPUTATIONAL CHEMISTRY

Human telomeric G-quadruplex: The current status of telomeric G-quadruplexes as therapeutic targets in human cancer

(2009) Stephen Neidle   FEBS Journal

A hitchhiker's guide to G-quadruplex ligands

(2007) David Monchaud et al.   ORGANIC & BIOMOLECULAR CHEMISTRY