molecular dynamics PhD Projects, Programs & Scholarships

We have 186 molecular dynamics PhD Projects, Programs & Scholarships

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Showing 1 to 10 of 186 PhDs

Computer-aided molecular design: improved ligand docking using electronic structure and molecular dynamics simulations

University of Manchester
Faculty of Biology, Medicine and Health

Dr R A Bryce, Dr N Burton

Applications accepted all year round

In structure-based drug design, computational modelling techniques are frequently used to predict the orientation and affinity with which a ligand binds to its protein receptor.

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PhD Research Project Type/Funding

Is the bonding in ionic liquids ordinary or exotic: using molecular dynamics to shed light on these complex systems

University of Leicester
Department of Chemistry

Dr C Evans, Prof A P Abbott

Application Deadline: 21 January 2019

One of the key technologies developed at the University is that of deep eutectic solvents, DESs. The behaviour of solutes in a largely ionic medium governs their reactivity and phase behaviour and this is vital to technologies such as mineral processing, electrochemistry and natural product extraction.

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PhD Research Project Type/Funding

Inhibiting amyloid development using natural compounds: a molecular dynamics study

University of Strathclyde
Department of Chemical and Process Engineering

Dr P Mulheran, Dr V A Ferro

Applications accepted all year round

Amyloid fibrils are highly ordered protein aggregates associated with many neurodegenerative diseases such as Alzheimer’s. Flavanoids, which are polyphenols such as curcumin present in the human diet, have been shown to inhibit fibril formation in tau protein which is abundant in neurons.

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PhD Research Project Type/Funding

Developing a multiscale description of complex fluids from the molecular to the continuum scales

University of Strathclyde
Department of Chemical and Process Engineering

Dr L Lue, Dr D Kivotides

Applications accepted all year round

Engineers have traditionally used continuum equations to model processes, such as the Navier-Stokes equation for fluid flow. These methods require constitutive relations that encode the properties of the fluid; these are typically determined empirically and have limited predictive capabilities.

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PhD Research Project Type/Funding

Computational modelling of protein dynamics in heart disease

Queen Mary University of London
School of Biological & Chemical Sciences

Dr A Fornili

Applications accepted all year round

Applications are invited from self-funded candidates interested in completing a PhD starting in October 2019 in the group of Dr Arianna Fornili (https://afornililab.wordpress.com) in the School of Biological and Chemical Sciences at Queen Mary University of London.

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PhD Research Project Type/Funding

(BBSCR DTP) Design of allosteric small molecule probes of fibrosis using molecular dynamics simulations

University of Manchester
Faculty of Biology, Medicine and Health

Dr R A Bryce, Dr K Piper Hanley, Dr R Whitehead

Application Deadline: 31 January 2019

Integrins are a family of protein receptors that play a major role in cell survival, growth and migration. Their function is to transmit signals across the cell membrane by undergoing an elegant large scale structural rearrangement.

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PhD Research Project Type/Funding

Protein/lipid interactions: Determinants of lipid interactions with membrane proteins investigated by machine learning, molecular simulations and mass spectrometry.

University of Leeds
Faculty of Biological Sciences

Research Group: BBSRC White Rose DTP

Dr A Kalli, Dr H Wang, Prof F. Sobott

Application Deadline: 7 January 2019

Biological membranes, which are comprised of lipid molecules, provide a diverse chemical environment that regulates the function of membrane proteins.

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PhD Research Project Type/Funding

PhD Studentship: Modelling Polymeric Materials in Spontaneously Flowing Biofluids

Loughborough University
Department of Mathematics

Prof T Ala-Nissila

Application Deadline: 1 February 2019

Reference number. TAN/MA/2018. Start date of studentship. 1st April 2019. Closing date of advert. 1th February 2019. Supervisors.

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PhD Research Project Type/Funding

Electrocatalysts in Nanotubes: A Nanotechnology Computational and Experimental Approach

Queen Mary University of London
School of Biological & Chemical Sciences

Dr D Di Tommaso, Dr Matteo Palma

Applications accepted all year round

Queen Mary University of London (QMUL) is one the UK’s leading research-focused higher education institutions, where multidisciplinary research is carried out at the highest level.

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PhD Research Project Type/Funding