StarDrop Core/ADME QSAR module Training Session 2019

ChimeraX features for the visualisation and analysis of ligand/protein complexes.

Structure-Based Virtual Screening on the cheap – Prof. David Koes, University of Pittsburgh

Tools and techniques in small-molecule structure-based drug discovery - Prof. Jacob Durrant, U Pitt

Martine Keenan (Epichem) The Role of Cyp51 inhibitors in Chagas disease research

Antimalarial and Anti Wolbachia drug discovery using cheminformatics and machine learning

Tylosin analogs as antifilarials: Tom von Geldern

In Silico models what to do, what not to do

Launch of Malaria Inhibitor Prediction platform (https://www.ebi.ac.uk/chembl/maip)

PKTool3 0 launch

PKTool v2.0 - update of popular free tool for dose prediction and pharmacokinetic modelling

StarDrop Core/ADME QSAR module Training Session 2019

DataWarrior: Advanced data visualisation and macros

PDBe Abhik Mukhopadhyay

PK Solver - a free tool to analyse pharmacokinetic data and derive PK parameters

Hit triaging and advancement to Anti-Wolbachial lead compounds

Processing malaria HTS results using KNIME: a tutorial

Selecting ADMET models for Drug Discovery

SwissDrugDesign a free web based environment for docking, virtual screening, target prediction and

SwissADME a web tool to support pharmacokinetic optimization for drug discovery

Heterocyclic Quinolones – privileged pharmacophore for TB and Malaria

Using Jupyter as an electronic notebook to store and share computational chemistry

2017 02 15 15 01 Transforming ‘hits’ into ‘leads’ Two malaria drug discovery case studies

Free PK modelling tool Part II

Predicting physicochemical properties with OCHEM and using chemistry in patents