Current Research

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Machine learning for chemistry and biology: force field, protein structures, protein-ligand binding...

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Nucleic acids; Protein-DNA interactions

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Protein folding equilibrium upon chemical, thermal and mechanical stress

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Multiscale modeling of chemical modifications to DNA and enzymatic reactions

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Transmembrane proteins: Modeling, ion permeation, artificial ion channels

Computing Facilities

Boston servers: 42 nodes, with dual Intel Xeon E5-2640 v4 and 4 NVIDIA GeForce GTX 1080 Ti GPUs per node

HP servers: 60 nodes with dual Intel Xeon E5-2640 processor

6 nodes with Intel Core i7 processors and 1 node with Intel Xeon E5-2630 processor

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