Exploring chemical space for computational drug discovery

Add to your list(s) Download to your calendar using vCal

• Alex Wade, TCM
• Wednesday 05 February 2020, 11:30-12:30
• TCM Seminar Room, Cavendish Laboratory.

If you have a question about this talk, please contact Angela Harper.

The space of all potential pharmacologically active molecules is estimated to contain 10^60 molecules. Searching this space for molecules with specific properties and activities is a major challenge. This talk will discuss methods to explore this space with a focus on classical molecular dynamics and free energy perturbation methods.

This talk is part of the Electronic Structure Discussion Group series.

This talk is included in these lists:

• All Cavendish Laboratory Seminars
• All Talks (aka the CURE list)
• CamBridgeSens
• Cambridge talks
• Centre for Health Leadership and Enterprise
• Combined TCM Seminars and TCM blackboard seminar listing
• Electronic Structure Discussion Group
• Featured lists
• Lennard-Jones Centre external
• Life Science Interface Seminars
• ME Seminar
• Neurons, Fake News, DNA and your iPhone: The Mathematics of Information
• PMRFPS's
• School of Physical Sciences
• TCM Seminar Room, Cavendish Laboratory
• Thin Film Magnetic Talks
• Trust & Technology Initiative - interesting events

Note that ex-directory lists are not shown.