Search Results for "dynamic simulation"

This GUI Software Allows Researchers to - Build PL complex and visualize Protein-Ligand Interaction(3D/2D) - SES surface and vdw radii to observe cavity - Run MD simulation for Protein-Ligand System with CUDA or OpenCL - Visualize MD simulation, Save as MP4 and Analyze MD Plots like RMSD, RMSF and FEL etc. - Get Dynamic Interaction Occupancy and Energetics Per Frame to classify amino acid residues as anchors, transient, accessible and non hotspots. - Frame wise scoring with AD4 scoring, vina, vinardo and dkoes_scoring Available currently in Windows 10/11, CUDA version 12 and above Any Issues, contact: kabeermuzammil614@gmail.com

NanoCap is a generic application for the construction of low energy fullerene and capped nanotube structures. It provides an ideal tool to accompany the study of finite carbon molecules using computer simulation. The implementation involves a standalone application which includes a GUI and allows for dynamic visual inspection through 3D rendering. In addition, the NanoCap core libraries can be used in custom Python scripts that enabled the user to produce structures in bulk or to include the structure generation routines into pre-existing code.

Our goal is to create an open source framework and toolset for modeling dynamic cellular network functions, and to develop a user community committed to using, extending and exploiting these tools to further our knowledge of biologic processes.