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collaboration with the Ahn lab, we carried out molecular dynamics (MD) simulations of inactive and active states of ERK2, each extended out to 360 µs of total sampling [3,4]. The findings revealed differential
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simulations, statistical mechanics, computer programming (e.g., C++, Python), polymer theory, molecular modeling (e.g., of proteins, nucleic acids, ligands), coarse-grain and polymer model development
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collaboration with the national (GTK, CSC) and international project partners (Karlsruhe Institute of Technology). Perform ab initio molecular dynamics (MD) simulations together with consortium partners
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processing 2. nonequilibrium physics of molecular machines 3. understanding the role of phase-separated condensates with quantitative models 4. Modeling multicellular systems in mechanobiology 5. AI assisted
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CFD methods DFT and Molecular modelling linked to CCUS Strong analytical and problem-solving skills, with an ability to interpret and analyze simulation and/or experimental results. Ability to work in
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to tackle this ambitious challenge by developing and applying new software tools that combine machine learning methodology, electronic structure theory, and molecular dynamics methodology to simulate
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internalization for ADC. Development of in-silico simulation tools for dynamic modeling of bispecific antibody engagement under physiological conditions. Validation of predictive models through experimental systems
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with the land surface model to conduct regional simulations; Flux and concentration footprint modelling; Post-processing of eddy covariance data, gap filling and data analysis; Plan, coordinate and
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Structural Bioinformatics High Performance Computing Complex mathematical modeling and simulations Leadership, management, and entrepreneurship The MSSE Program is a unique program that is designed to formally
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of unconventional superconductors’ with Professor Michele Governale (Victoria University of Wellington) ‘From ab initio characterisation to simulation of molecular 'synapses' for neuromorphic computing’ with