Ionic liquid solvation of proteins in native and denatured states
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
Author : Leandro Martinez
CCES stories: Daniela Damasceno
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
CCES stories: Clarisse Ricci
I did my PhD in molecular biophysics, in the group of Professor Munir Skaf – linked to CCES – from 2010 to 2014. During this
CCES stories: Josué Labaki
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
CCES stories: Rodrigo Leandro Silveira
Here I report a bit about my experience at CCES and where it led me. My time at CCES began in 2014, as a postdoctoral
CCES stories: Hervé Yviquel
Hello! My name is Hervé Yviquel. I am a research scientist in parallel computing. This means that I might be able to help if you
Cellulose-builder: a toolkit for building crystalline structures of cellulose
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
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: A package to evaluate structural models using chemical crosslinking distance constraints.
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: General molecular structural alignment package
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: Automatic identification of mobile and rigid substructure in protein dynamics
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: A package to build initial configurations for molecular dynamics simulations
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