Pinned Repositories
Covid-GUI
Graphical User Interface for fast identification of good SARS-CoV-2 inhibitors, based on the ligand structure.
LAMC
Linear Alkanes Monte Carlo (LAMC): implementation of the Configurational Bias Monte Carlo (CBMC) algorithm for the simulation of linear alkanes.
Molecular-Docking-plus-Machine-Learning
Algorithm for sequential molecular docking analyses and machine learning procedure to interpret the results.
Monte-Carlo-Mixtures-of-Ellipsoids-Spherocylinders-Cylinders
This is a NVT/NPT-Monte Carlo algorithm designed to evaluate the thermodynamic behavior of mixtures of some hard convex bodies: ellipsoids of revolution, spherocylinders, and cylinders.
Self-diffusion-coefficients-for-confined-fluids-in-a-slit-pore-
Simulation-of-calcite-confined-systems
This repository contains the necessary input files to reproduce simulations of calcite-confined systems
TB_flash
templates-overleaf
Templates em LaTeX para dissertações e projetos FAPESP.
TPT-coefficients-for-ellipsoidal-molecules
Canonical Monte Carlo algorithm for ellipsoid-of-revolution molecules
TPT-coefficients-for-spherocylindrical-molecules
Canonical Monte Carlo algorithm for spherocylindrical molecules
LESC-Unicamp's Repositories
LESC-Unicamp/Monte-Carlo-Mixtures-of-Ellipsoids-Spherocylinders-Cylinders
This is a NVT/NPT-Monte Carlo algorithm designed to evaluate the thermodynamic behavior of mixtures of some hard convex bodies: ellipsoids of revolution, spherocylinders, and cylinders.
LESC-Unicamp/TB_flash
LESC-Unicamp/Molecular-Docking-plus-Machine-Learning
Algorithm for sequential molecular docking analyses and machine learning procedure to interpret the results.
LESC-Unicamp/Self-diffusion-coefficients-for-confined-fluids-in-a-slit-pore-
LESC-Unicamp/Covid-GUI
Graphical User Interface for fast identification of good SARS-CoV-2 inhibitors, based on the ligand structure.
LESC-Unicamp/LAMC
Linear Alkanes Monte Carlo (LAMC): implementation of the Configurational Bias Monte Carlo (CBMC) algorithm for the simulation of linear alkanes.
LESC-Unicamp/Simulation-of-calcite-confined-systems
This repository contains the necessary input files to reproduce simulations of calcite-confined systems
LESC-Unicamp/templates-overleaf
Templates em LaTeX para dissertações e projetos FAPESP.
LESC-Unicamp/TPT-coefficients-for-ellipsoidal-molecules
Canonical Monte Carlo algorithm for ellipsoid-of-revolution molecules
LESC-Unicamp/TPT-coefficients-for-spherocylindrical-molecules
Canonical Monte Carlo algorithm for spherocylindrical molecules