Simon C. Cross

Dunmore Road
Waterford, M, Ireland

Last Updated: 09/26/2026

Save publications for later

Sign Up

Not sure about your diagnosis?

Check Your Symptoms

Found 24 publications

Selection of short Gadd45β-binding peptides through a synergistic computational and biophysical approach.

Selection of short Gadd45β-binding peptides through a synergistic computational and biophysical approach.

Journal: Protein science : a publication of the Protein Society

Published: May 14, 2025

Comparative Study of Allosteric GPCR Binding Sites and Their Ligandability Potential.

Comparative Study of Allosteric GPCR Binding Sites and Their Ligandability Potential.

Journal: Journal of chemical information and modeling

Published: October 23, 2024

DeepGRID: Deep Learning Using GRID Descriptors for BBB Prediction.

DeepGRID: Deep Learning Using GRID Descriptors for BBB Prediction.

Journal: Journal of chemical information and modeling

Published: August 28, 2023

Exploiting ELIOT for Scaffold-Repurposing Opportunities: TRIM33 a Possible Novel E3 Ligase to Expand the Toolbox for PROTAC Design.

Exploiting ELIOT for Scaffold-Repurposing Opportunities: TRIM33 a Possible Novel E3 Ligase to Expand the Toolbox for PROTAC Design.

Journal: International journal of molecular sciences

Published: October 26, 2022

ELIOT: A platform to navigate the E3 pocketome and aid the design of new PROTACs.

ELIOT: A platform to navigate the E3 pocketome and aid the design of new PROTACs.

Journal: Chemical biology & drug design

Published: May 09, 2022

FragExplorer: GRID-Based Fragment Growing and Replacement.

FragExplorer: GRID-Based Fragment Growing and Replacement.

Journal: Journal of chemical information and modeling

Published: February 04, 2022

Combining machine learning and quantum mechanics yields more chemically aware molecular descriptors for medicinal chemistry applications.

Combining machine learning and quantum mechanics yields more chemically aware molecular descriptors for medicinal chemistry applications.

Journal: Journal of computational chemistry

Published: April 29, 2021

Virtual screening identifies broad-spectrum β-lactamase inhibitors with activity on clinically relevant serine- and metallo-carbapenemases.

Virtual screening identifies broad-spectrum β-lactamase inhibitors with activity on clinically relevant serine- and metallo-carbapenemases.

Journal: Scientific reports

Published: December 19, 2019

Synthetic Peptide Libraries: From Random Mixtures to In Vivo Testing.

Synthetic Peptide Libraries: From Random Mixtures to In Vivo Testing.

Journal: Current medicinal chemistry

Published: April 14, 2018

Structure-Based Virtual Screening for the Discovery of Novel Inhibitors of New Delhi Metallo-β-lactamase-1.

Structure-Based Virtual Screening for the Discovery of Novel Inhibitors of New Delhi Metallo-β-lactamase-1.

Journal: ACS medicinal chemistry letters

Published: October 17, 2017

Computational and biological profile of boronic acids for the detection of bacterial serine- and metallo-β-lactamases.

Computational and biological profile of boronic acids for the detection of bacterial serine- and metallo-β-lactamases.

Journal: Scientific reports

Published: August 08, 2017

A MultiCenter Pilot Randomized Controlled Trial of Remote Ischemic Preconditioning in Major Vascular Surgery.

A MultiCenter Pilot Randomized Controlled Trial of Remote Ischemic Preconditioning in Major Vascular Surgery.

Journal: Vascular and endovascular surgery

Published: November 18, 2015

Showing 1-12 of 24

Last Updated: 09/26/2026