Ionic liquids (ILs) are utilized as enzymatic reaction solvents and as protein structure protectants or denaturants in biotechnological applications. They can develop a wide spectrum
My name is Daniela Andrade Damasceno. I did my PhD in Mechanical Engineering at Unicamp, in the Department of Computational Mechanics (DMC) of the School
My name is Josué Labaki; I am a professor at the School of Mechanical Engineering (FEM) at Unicamp, working with dynamic soil-structure interaction. A classic
Cellulose-builder is a user-friendly program that builds crystalline structures of cellulose of different sizes and geometries. The program generates Cartesian coordinates for all atoms of
High Performance Collision Cross Section Calculation – HPCCS The High Performance Collision Cross Section (HPCCS) is a new software for fast and accurate calculation of
TOPOLINK is a package to compute topological distances between atoms on the surface of proteins and validate structural models using cross-linking experimental data. Available at:
LovoAlign is a new protein structural alignment package. The methods used for structural alignment are based on Low Order Value Optimization (LOVO) theory. The use
MDLovoFit is a package for the analysis of the mobility and structural fluctuation in Molecular Dynamics simulations. It allows the automatic identification of rigid and
PACKMOL creates an initial point for molecular dynamics simulations by packing molecules in defined regions of space. The packing guarantees that short range repulsive interactions