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Articles tagged with “molecular-dynamics”

A Technical Overview of Molecular Simulation Software

An analysis of leading software for molecular modeling and simulation. Learn about features, theoretical methods (MD, QM), performance, and use cases.

50 min read

9/27/2025

computational chemistry molecular modeling molecular dynamics quantum mechanics simulation software force fields drug discovery gromacs

Powering Pharma AI with NVIDIA H100 and Blackwell GPUs

A comprehensive analysis of how pharmaceutical and biotech companies are leveraging NVIDIA's latest H100 and Blackwell GPUs to accelerate drug discovery, protein structure prediction, and AI-driven research, with detailed case studies from leading companies.

25 min read

4/19/2025

nvidia gpu machine-learning drug-discovery pharmaceutical biotechnology supercomputing protein-folding generative-ai high-performance-computing research-and-development computational-biology molecular-dynamics