Research

Variable resolution algorithms for macromolecular simulations

TwoPhD positions are available in the framework of the ERC StG project VARIAMOLS – Variable resolution algorithms for macromolecular simulations. The successful candidates will work on the development and application of computational methods for the study of large macromolecules – e.g. proteins and DNA. The research projects aim at the design, implementation, and application of algorithms to model and efficiently simulate a biomolecule, and involves scientific programming, modification and usage of molecular dynamics simulation software, and machine learning / deep neural network techniques.

Project website: https://sites.google.com/view/variamols

Physics Dept. website: http://www.physics.unitn.it

Facebook: https://www.facebook.com/variamols Email: [email protected]


Related posts:

  1. Variable resolution algorithms for macromolecular simulations Two postdoc positions are available in the framework of the ERC StG project VARIAMOLS – Variable resolution algorithms for macromolecular simulations. A postdoc researcher is sought for a 2-years long project involving deep neural network—based method development and applications in the context of macromolecular modelling and simulation. Candidates with background in physics, chemistry, biology, and [...]...
  2. ESR4-D: Molecular dynamics simulations of lipid bilayers and their interactions with nano-objects Theoretical physics, theory in soft matter, computer simulations Contact Chanfei Su Objectives The challenge of this project is to understand the role of molecular properties of self-organized phosphor-lipid bilayers on the interaction behaviour with nano-objects such as spherical nanoparticles, stiff rods and protein-like copolymers: Implementing an appropriately coarse-grained model for bilayer membranes based on highly parallelized LAMPS-code. Dynamics of lipids and [...]...
  3. ESR1-T: Computer simulations of equilibrium structures of lipid membranes and nano-objects Theoretical physics, theory in soft matter, computer simulations Contact Berardo Manzi Objectives The aim of this project is to understand the interactions of lipid membranes with nano-objects including functional biomimetic polymers, polymeric micelles, carbon nanotubes and polymer therapeutic complexes/conjugates to enable the intelligent design of novel materials with improved bilayer modifying properties. A full range of theoretical methods will be [...]...
  4. ESR3-D: Monte Carlo simulations of lipid membranes and their interactions with copolymers Theoretical physics, theory in soft matter, computer simulations Contact Ankush Checkervarty Objectives The challenge of this project is to rationalize the inter effective interactions between amphiphilic copolymers and self-organized lipid bilayer membranes using coarse-grained Monte Carlo methods: Analyze the effect of many copolymers interacting with a fluctuating membrane Finding copolymer sequences which match particular tasks such as increasing permeation or disruption Simulating membranes [...]...
  5. ESR6-L: Atomistic and coarse-grained simulations of the interactions of nano-objects and biosurfactants with lipid bilayers Objectives This project is focused on the study of the interactions of nano-objects and biosurfactants with lipid bilayers using continuum theory and atomistic and coarse-grained molecular dynamics simulations. Equilibrium state of stratum corneum (SC) lipid bilayers in contact with keratin corneocytes; Interaction of nanoparticles and proteins with SC lipid bilayers; Understanding the role of strongly-asymmetric ceramides in the structure [...]...