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"molecular" AND "dynamics…×
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molecular dynamics PhD Projects, Programs & Scholarships

We have 186 molecular dynamics PhD Projects, Programs & Scholarships

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  Computer-aided molecular design: improved ligand docking using electronic structure and molecular dynamics simulations
  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.
  Is the bonding in ionic liquids ordinary or exotic: using molecular dynamics to shed light on these complex systems
  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.
  Inhibiting amyloid development using natural compounds: a molecular dynamics study
  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.
  Developing a multiscale description of complex fluids from the molecular to the continuum scales
  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.
  Computational modelling of protein dynamics in heart disease
  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.
  (BBSCR DTP) Design of allosteric small molecule probes of fibrosis using molecular dynamics simulations
  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.
  Protein/lipid interactions: Determinants of lipid interactions with membrane proteins investigated by machine learning, molecular simulations and mass spectrometry.
  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.
  PhD Studentship: Modelling Polymeric Materials in Spontaneously Flowing Biofluids
  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.
  Electrocatalysts in Nanotubes: A Nanotechnology Computational and Experimental Approach
  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.
  Multiscale modelling and multifield analysis of composite structures
  Dr F Fazzolari
Application Deadline: 31 March 2019
Nanosciece and nanocomposites gave birth to a new era in material science, engineering, medicine, electronics, energy harvesting/production.
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