Martínez Molecular Modeling Group
Institute of Chemistry and Center for Computing in Engineering and Science
University of Campinas
[Software repository at GITHUB]
Software for constructing initial configurations for Molecular Dynamics Simulations based on packing optimization.
Software for the evaluation of structural models using chemical crosslinking mass spectrometry data.
A package to study the structure of solutions of complex solutes and solvents.
Performs customizable rigid-body structural alignment using convergent algorithms based on Low-Order-Value-Optimization theory.
Robust alignment method for the automatic classification of conserved and flexible substructures in MD simulations.
A Julia package to manipulate PDB files.
A suite of fortran codes to perform analyses of MD simulations performed mostly with NAMD or CHARMM.
This is a collection of scripts to run the Anisotropic Thermal Difusion method, as described in
Peforms linear fitting of perhaps multidimensional data with the automatic elimination of outliers.
Some utility programs to analyze data. And the script coding the
method of SMD with variable directions.