Molecular Dynamics Simulation
Expert setup, configuration, and analysis of MD simulations using GROMACS, AMBER, and NAMD. Optimization for GPU clusters and cloud platforms.
Services
Specialized consulting services for computational biology and scientific computing projects
HDX-MS Data Pipeline Development
Custom data processing pipelines for hydrogen-deuterium exchange mass spectrometry. Automated analysis workflows and visualization tools.
Scientific Software Engineering
Development of custom analysis tools, data processing pipelines, and scientific applications using Python, C++, and modern software engineering practices.
HPC/GPU Workflow Optimization
Performance optimization for high-performance computing environments. GPU acceleration with CUDA and OpenCL. Workflow orchestration and job scheduling.
Custom Analysis Tool Development
Bespoke software solutions for specialized analysis needs. Integration with existing tools and databases. API development and deployment.