Integrating MDAnalysis streaming analysis within WESTPA propagators
Jamie Rowe
Weighted ensemble (WE) simulations enhance the exploration of a molecular system’s phase space by running numerous short, parallel simulations and...
Enhancing ProLIF Visualizations: A Hybrid Approach for Automated, Customizable 2D Interaction Layout
Nilay Verma
ProLIF’s current 2D interaction diagrams often suffer from overlapping protein residues and tangled edges due to reliance on a default physics engine...
Better interfacing of Blender and MDAnalysis
Pardhav Maradani
Blender is an industry leading open-source 3D modelling and animation software. MDAnalysis is an open-source Python library for analyzing molecuar...
MDAnalysis x ProLIF Project 5: H-Bond interactions from implicit hydrogens
Yu-Yuan (Stuart) Yang
ProLIF, a tool for identifying protein-molecule interactions in molecular dynamics trajectories, lacks a straightforward method for evaluating...
