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Yusuf Hamied Department of Chemistry

 

I am now Professor Emeritus, but continue research with several ongoing research grants as Director of Research.

There is a strong interest in the development of novel molecular property calculations and data analysis methods combined with the simulation of biomolecules and materials. Current research interests include drug discovery methods (SAR, simulation of biomolecules and ADME) and molecular data analysis (machine learning, deep learning) as well as drug discovery projects against specific targets. Recent work has seen compounds evaluated in human clinical studies in Addenbrooke's hospital.

 

Career highlights

I gained my Ph.D. (supervisor Prof. Peter Murray-Rust) in X-ray Crystallography, computational chemistry and Organic Synthesis from the University of Stirling.  One of the highlights was the first co-crystallisation of a reactant and product of a chemical reaction in a single crystal. 

As a Senior Research Scientist at the Wellcome Foundation I guided the development of the Computer-aided Molecular Design group. This included Protein Crystallography (the first in a pharmaceutical company), Molecular Transport properties and Electrochemistry.  I designed the GASP and GOLD computer programs which are used extensively in the pharmaceutical industry, I am a co-inventor of Zomig (a drug for migraine) and invented two other compounds at Wellcome that entered Phase-2 clinical development. 

As Vice President for Collaborative Research at Tripos Inc., a biotechnology company in St. Louis Mo. we created the first commercial screening library, Optiverse (100K compounds), and I assisted in setting up three biotechnology companies (Arena Pharmaceuticals, Phase-1 Molecular Toxicology and Signase).  I obtained and directed a significant BBSRC grant with University College London (discovering activators of soluble guanylate cyclise and working with The Technology Partnership to develop the Baseplate robot) and managed collaborative research and contract research in drug discovery with many large Pharmaceutical companies. Two of the research programs resulted in drugs for obesity (lorcaserin) and sleep disorders/alzheimers (nelotanserin).

In 1999 I moved to the University of Cambridge as Founding Director of the Unilever Centre for Molecular Sciences Informatics, a new institute as part of the Chemistry department, now the Centre for Molecular Informatics, part of the Theoretical Group.

I have served on the boards of a number of emerging biotech and technology companies and serve on a number of grant awarding bodies and am a Fellow of Clare College Cambridge. I have been a consultant to many large pharma companies. I have additionally received over £20M in grants over the last ten years, from Wellcome Trust, NHS, EPSRC, BBSRC, DTI, MRC and Pharmaceutical and software companies.

I was elected Professor of Computational Medicine at Imperial College London, and direct several groups working on Big Data projects in diverse areas such as metabonomics, clinical data analysis, imaging (the first imaging of a tumour in 3D using mass spectrometry.

Teaching

Teaching commitments are principally now mentoring and examination.

Lectures

I lecture regularly at conferences, in companies and to  undergraduates and post graduates. e.g. The Gordon Converence on CAMD, 2023 - Plenary Lecture

Environment

The Centre for Molecular Informatics has four research groups, Glen, Goodman, Bender and Colwell.

Further Funding Information

We receive funding from most research councils, the EU, charities and companies. We thank them all and are very grateful to all our funders, particularly Unilever whose generosity founded the Centre for Molecular Informatics.

Publications

A new approach to kernel based data analysis algorithms
HY Mussa, RC Glen
– Chemistry Central Journal
(2009)
3,
o6
Where does the tetrazole ring belong? Insight to the binding pose of AT1 antagonists using homology modeling, molecular dynamics, and docking
NJM Macaluso, RC Glen
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2009)
237,
Development and characterization of cyclic analogs of apelin-13 through replica-exchange molecular dynamics and experimental validation
NJM Macaluso, SL Pitkin, PN Sanderson, AP Davenport, RC Glen
– ABSTR PAP AM CHEM S
(2009)
237,
Characterisation of the solution conformation of a cyclic RGD peptide analogue by NMR spectroscopy allied with a genetic algorithm approach and constrained molecular dynamics
PN Sanderson, RC Glen, AW Payne, BD Hudson, C Heide, GE Tranter, PM Doyle, CJ Harris
– International journal of peptide and protein research
(2009)
43,
588
Findings of the challenge to predict aqueous solubility
AJ Hopfinger, EX Esposito, A Llinàs, RC Glen, JM Goodman
– Journal of chemical information and modeling
(2008)
49,
{1-5}
Controlling protein molecular dynamics: How to accelerate folding while preserving the native state
CH Jensen, D Nerukh, RC Glen
– The Journal of Chemical Physics
(2008)
129,
225102
ChemInform Abstract: Solubility Challenge: Can You Predict Solubilities of 32 Molecules Using a Database of 100 Reliable Measurements?
A Llinas, RC Glen, JM Goodman
– ChemInform
(2008)
39,
no
Solubility challenge:: Can you predict solubilities of 32 molecules using a database of 100 reliable measurements?
A Llinàs, RC Glen, JM Goodman
– J Chem Inf Model
(2008)
48,
1289
JUMBO - An XML infrastructure for eScience
Z Yong, P Murray-Rust, MT Dove, RC Glen, HS Rzepa, JA Townsend, SM Tyrrell, J Wakelin, EL Willighagen
(2008)
A semantic Grid for molecular science
P Murray-Rust, RC Glen, HS Rzepa, JJP Stewart, JA Townsend, EL Willighagen, Z Yong
(2008)
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Research Group

Research Interest Groups

Telephone number

01223 336472

Email address

rcg28@cam.ac.uk