1 тысяч подписчиков
33 видео
Datawarrior tutorial
SwissDrugDesign a free web based environment for docking, virtual screening, target prediction and
PKTool v2.0 - update of popular free tool for dose prediction and pharmacokinetic modelling
Hit triaging and advancement to Anti-Wolbachial lead compounds
Martine Keenan (Epichem) The Role of Cyp51 inhibitors in Chagas disease research
Antimalarial and Anti Wolbachia drug discovery using cheminformatics and machine learning
Selecting ADMET models for Drug Discovery
Using Jupyter as an electronic notebook to store and share computational chemistry
StarDrop Core/ADME QSAR module Training Session 2019
ChimeraX features for the visualisation and analysis of ligand/protein complexes.
Processing malaria HTS results using KNIME: a tutorial
Heterocyclic Quinolones – privileged pharmacophore for TB and Malaria
Launch of Malaria Inhibitor Prediction platform (
Free PK modelling tool Part II
Tylosin analogs as antifilarials: Tom von Geldern
Structure-Based Virtual Screening on the cheap – Prof. David Koes, University of Pittsburgh
2017 02 15 15 01 Transforming ‘hits’ into ‘leads’ Two malaria drug discovery case studies
PKTool3 0 launch
Predicting physicochemical properties with OCHEM and using chemistry in patents
Applications of ChEMBL in drug design 2016 07 25
PK Solver - a free tool to analyse pharmacokinetic data and derive PK parameters
DataWarrior: Advanced data visualisation and macros
SwissADME a web tool to support pharmacokinetic optimization for drug discovery
In Silico models what to do, what not to do
Tools and techniques in small-molecule structure-based drug discovery - Prof. Jacob Durrant, U Pitt
