About Dr. Emiliano Brini
Background
2021-... Assistant Professor, Rochester Institute of Technology (NY)
2019-21 Research Scientist, Stony Brook University (NY) - PI: Ken A Dill
2013-19 Postdoc, Stony Brook University (NY) - PI: Ken A Dill
2012-13 Postdoc, TU Darmstadt, Darmstadt (DE) - PI: Nico F A van der Vegt
2012 PhD in Chemistry, TU Darmstadt, Darmstadt (DE) - Advisor: Nico F A van der Vegt
2008 M.S. in Photo-chemistry & Chemistry of Materials, Bologna University, Bologna (IT)
2006 B.S. in Chemistry of Materials, Bologna University, Bologna (IT)
Publications
R. Nassar, E. Brini, S. Parui, C. Liu, G. Dignon, K. A. Dill, Accelerating Protein Folding Molecular Dynamics Using Inter-Residue Distances from Machine Learning Servers, Journal of Chemical Theory and Computation, Journal of Chemical Theory and Computation, 18, 1929 (2022) [link]
C. Liu, E. Brini, K. A. Dill, Accelerating Molecular Dynamics Enrichments of High-Affinity Ligands for Proteins, Journal of Chemical Theory and Computation, 18, 374 (2021) [link]
E. Brini, C. Simmerling, K. A. Dill, Protein storytelling through physics, Science, 370, eaaz3041 (2020) [link]
C. Liu, E. Brini, A. Perez, K. A. Dill, Computing ligand poses in proteins using MELD-accelerated MD, Journal of Chemical Theory and Computation, 16, 6377 (2020) [link]
D. Padhorny, K. A. Porter, M. Ignatov, A. Alekseenko, D. Beglov, S. Kotelnikov, R. Ashizawa, I. Desta, N. Alam, Z. Sun, E. Brini, K. A. Dill,O. Schueler Furman, S. Vajda, D.Kozakov, ClusPro in rounds 38-45 of CAPRI: Toward combining template-based methods with free docking, Proteins: Structure, Function, and Bioinformatics, 88, 1082 (2020) [link]
A. Khramushin, O. Marcu, N. Alam, O. Shimony, D. Padhorny, E. Brini, K. A. Dill, S. Vajda, D. Kozakov, O. Schueler-Furman, Modeling beta sheet peptide-protein interactions: Rosetta FlexPepDock in CAPRI Rounds 38-45, Proteins: Structure, Function, and Bioinformatics, 88, 1037 (2020) [link]
S. Kotelnikov, A. Alekseenko, C. Liu, M. Ignatov, D. Padhorny, E. Brini, M. Lukin, E. Coutsias, K. A. Dill, D. Kozakov, Sampling and refinement protocols for template-based macrocycle docking: 2018 D3R Grand Challenge 4, Journal of Computer-Aided Molecular Design, 34, 179 (2020) [link]
J. C. Robertson, R. Nassar, C. Liu, E. Brini, K. A. Dill, A. Perez, NMR-assisted protein structure prediction with MELDxMD, Proteins: Structure, Function, and Bioinformatics, 87, 1333 (2019) [link]
E. Brini, D. Kozakov, K. A. Dill, Predicting protein dimer structures using MELD x MD, Journal of Chemical Theory and Computation, 15, 3381 (2019) [link]
E. Brini, C. J. Fennell, M. Fernandez-Serra, B. Hribar-Lee, M. Lukšič, K. A. Dill, How water’s properties are encoded in its molecular structure and energies, Chemical Review, 117, 12385 (2017) [link]
A. Perez, J. A. Morrone, E. Brini, J. L. MacCallum, K. A. Dill, Blind protein structure prediction using accelerated free-energy simulations, Science Advances, 2, e1601274 (2016) [link]
E. Brini, S. S. Paranahewage, C. J. Fennell, K. A. Dill, Adapting the semi-explicit assembly solvation model for estimating water-cyclohexane partitioning with the SAMPL5 molecules, Journal of Computer-Aided Molecular Design, 30, 1067 (2016) [link]
A. Perez, J. L. MacCallum, E. Brini, C. Simmerling, K. A. Dill, Grid-based backbone correction to the ff12SB protein force field for implicit-solvent simulations, Journal of Chemical Theory and Computation, 11, 4770 (2015) [link]
E. Brini, E. A. Algaer, P. Ganguly, C. Li, F. Rodriguez-Ropero, N. F. van der Vegt, Systematic coarse- graining methods for soft matter simulations–a review, Soft Matter, 9, 2108 (2013) [link]
E. Brini, N. F. van der Vegt, Chemically transferable coarse-grained potentials from conditional reversible work calculations, The Journal of Chemical Physics, 137, 154113 (2012) [link]
F. Lugli, E. Brini, F. Zerbetto, Shape governs the motion of chemically propelled Janus swimmers, The Journal of Physical Chemistry C, 116, 592 (2012) [link]
E. Brini, C. R. Herbers, G. Deichmann, N. F. van der Vegt, Thermodynamic transferability of coarse-grained potentials for polymer–additive systems, Physical Chemistry Chemical Physics , 14, 11896 (2012) [link]
E. Brini, V. Marcon, N. F. van der Vegt, Conditional reversible work method for molecular coarse graining applications, Physical Chemistry Chemical Physics , 13, 10468 (2011) [link]