Molecular Dynamics Simulations Solution

About the Infographics

Creative Proteomics offers cutting-edge Molecular Dynamics (MD) simulation services to accelerate your research in pharmaceuticals, biotechnology, and materials science. Our high-precision computational models provide unparalleled insights into protein-ligand interactions, biomolecular stability, and material properties, empowering data-driven decision-making in R&D.

Key Features

• High-Performance Computing (HPC): Our GPU-accelerated simulations significantly enhance performance compared to traditional CPU-based computations, enabling the simulation of millions of atoms within practical timeframes.
• Validated Force Fields: Utilize industry-standard AMBER, CHARMM, Martini, GROMOS, OPLS (Schrödinger), and other advanced force fields for accurate molecular interaction modeling.
• Flexible Time Scales: Simulate molecular behaviors across nanoseconds (ns) to microseconds (μs) to explore conformational changes, protein folding, ligand binding, and more.
• Customizable Solvent & Environment Settings: Simulations in explicit or implicit solvent models, with temperature and pressure control, to mimic biological or material-relevant conditions.
• Comprehensive Data Analysis & Visualization: Deliverables include trajectory analysis, energy landscapes, RMSD, RMSF, and binding free energy calculations, alongside interactive 3D molecular models, dynamic videos, and comprehensive reports for publication-ready results.

Why Choose Our MD Simulation Services?

• Unmatched Computational Speed: Achieve production-level μs-scale simulations in days, not weeks, leveraging our cloud-based and scalable HPC infrastructure.
• PhD-Level Expertise: Our team of computational chemists and bioinformatics specialists ensures accurate modeling, interpretation, and optimization for your specific research needs.
• Actionable Insights for Drug Discovery & Material Science: From ligand binding affinity predictions to molecular stability assessments, we provide quantitative insights that accelerate decision-making and reduce experimental costs.
• Secure & Compliant Data Handling: We employ end-to-end encryption and strict access controls to safeguard your research data.

From early-stage molecular screening to detailed mechanistic studies, our MD simulation services support researchers in gaining deeper molecular insights, optimizing drug development pipelines, and advancing materials innovation.

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• Molecular Dynamics (MD) Simulation