Tuesday 14 September 2021 – Thursday 16 September 2021

The sessions at BIOVIA Conference will cover science from discovery to manufacturing in:

  • Life Sciences
  • Consumer package goods
  • High-Tech
  • Energy & Materials
  • Transportation & Mobility
  • Aerospace & Defense

Vera Prytkova, Speaker

Research and Applications Scientist at CCDC

Title: GOLD docking in structure-based drug design applications

Date: Tuesday, 14th September

Time: 9:40 - 10:00 (PST)

The discovery of novel cancer agents and new potent inhibitors of the opioid receptors and the ion channels are a few areas in drug discovery where GOLD docking made a significant impact this year. Researchers used docking to assess how changes affect binding, to optimize compound geometry and to predict binding of small molecules to active pockets in proteins as well as in virtual screening experiments. Among other capabilities, Cambridge Crystallographic Data Centre’s GOLD docking allows the manipulation of crystallographic water molecules, the setup of a range of constraints based on experimental information and the ability to deploy calculations on the Cloud. In this talk, we shall discuss the aspects and applications of GOLD in drug discovery projects.

 

Register here