Virtual screening

InhibOx Completes Project For DormaTarg

Submitted by InhibOx on 19 December 2012 - 3:50pm

InhibOx recently completed a project for DormaTarg, Inc., based in Oklahoma City, OK, USA.  Their mission is to prevent the recurrence of cancer by identifying drugs that will destroy suppressed cancer cells before they re-activate, and are taking these lead compounds toward FDA approval.  DormaTarg is also seeking biomarkers of tumour dormancy.  Robert E. Hurst, PhD, President & CSO, DormaTarg, Inc., said:

Scopius-CSpace v6 new release – InhibOx’s leading 3D structure database of available chemicals just got 50% bigger

Submitted by InhibOx on 10 April 2012 - 2:06pm

Scopius, the world’s largest available curated 3D compound and fragment database, features enhanced cloud-enabled cheminformatics capabilities

InhibOx and COSMIC Discoveries Align to Deliver 
Full Service Drug Discovery Offering

Submitted by InhibOx on 15 March 2011 - 11:11am

New service supports big pharma’s drive to outsourcing by offering highly sophisticated technologies for drug discovery chemistry with leading computer-aided drug design services

COSMIC Discoveries

  InhibOx

InhibOx Announces Scopius-5 – The First 100 Million+ Compound 3D Drug Candidate Design Database

Submitted by InhibOx on 17 December 2010 - 3:33pm

Scopius is the largest available curated 3D compound and fragment database

Oxford, UK, December 17, 2010 - InhibOx Ltd, the specialist in novel and effective computational methods for drug discovery, today announces the launch of Scopius-5 – the world’s largest currently available drug discovery screening database and the first system to pass 100 million compounds. Scopius-5 is a unique and powerful resource that will enable new levels of innovation and rigor to screening processes in drug discovery.

InhibOx Updates Partial Charges for DUD Molecules

Submitted by InhibOx on 6 July 2010 - 9:00pm

AutoDock helps tackle two AIDS targets, HIV Protease and HIV Integrase

Submitted by InhibOx on 8 March 2010 - 7:29pm

Oxford, UK — 11th March, 2010.

The Scripps Research Institute and the FightAIDS@Home project announce new publications and the discovery of two new anti-HIV compounds.

A recent publication in the Journal of Molecular Biology, on which leading InhibOx scientist Dr. Garrett M. Morris is a co-author, describes a dynamic model of HIV integrase inhibition and drug resistance.  This work employed the ligand-protein docking program, AutoDock, of which Garrett is a key developer.

Ligand-Based Virtual Screening

Ligand-Protein Docking

Introduction

Ligand-protein docking methods attempt to identify optimal positions, orientations and conformations of a ligand or small molecule with respect to a given protein receptor or enzyme.  InhibOx offers extensive expertise and a range of solutions in ligand-protein docking.

Intelligensys and InhibOx Apply Proven Formulation Approaches to Improve Lead Discovery Efficiency

Submitted by InhibOx on 8 February 2010 - 4:00pm

Oxford and Stokesley, UK — 8th February 2010

InhibOx Ltd (Oxford, UK) and Intelligensys Ltd (Stokesley, North Yorkshire, UK) announce a partnership to apply advanced machine learning approaches, already successful in formulation design, to improve virtual screening and computer-aided drug design (CADD) efficiency.

InhibOx

Cloud-Enabled Drug Discovery

Cloud-Enabled Drug DiscoveryDrug discovery in the 21st century is undergoing the most dramatic change it has ever seen. Pharma companies are globalizing their R&D capabilities, seeking new collaboration partners and outsourcing activities from simple tasks to complete projects.  And everyone in pharma, biotechs, CROs and academic research institutes is seeking new and better approaches to discovering new drug candidates.

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