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  • Fragment dissolved molecular dynamics

    An efficient method to locate binding sites : Fragment Dissolved Molecular Dynamics (fdMD) You can check more information at!divAbstract You can download the software from here Authors: Jaime Rubio, […]


    Brownian dynamics (BD) simulation program to study diffusion in crwoded media using the Chain Entanglement Softened Potential (CESP) model. The CESP model uses a shoulder-shaped potential that allows goes beyond […]

    Software development

    Here you will find a list of software developed or collaborated by IQTCUB members. – Biopolymer Diffusion in Crowded Media – Combinatorial-K-means-clustering – DFT exchange-correlation functionals, aimed at maximizing the […]