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List of works by Emiliano Brini

Accelerating Molecular Dynamics Enrichments of High-Affinity Ligands for Proteins

scientific article published on 08 December 2021

Accelerating Protein Folding Molecular Dynamics Using Inter-Residue Distances from Machine Learning Servers

scientific article published on 08 February 2022

Adapting the semi-explicit assembly solvation model for estimating water-cyclohexane partitioning with the SAMPL5 molecules.

scientific article published on 8 September 2016

Blind protein structure prediction using accelerated free-energy simulations

scientific article

ClusPro in rounds 38 to 45 of CAPRI: Toward combining template-based methods with free docking

scientific article published on 06 March 2020

Computing ligands bound to proteins using MELD-accelerated MD

scientific article published on 10 September 2020

Grid-based backbone correction to the ff12SB protein force field for implicit-solvent simulations

scientific article published on 17 September 2015

How Water's Properties Are Encoded in Its Molecular Structure and Energies.

scientific article published on 26 September 2017

Modeling beta-sheet peptide-protein interactions: Rosetta FlexPepDock in CAPRI rounds 38-45

scientific article published on 31 December 2019

NMR-assisted protein structure prediction with MELDxMD

scientific article published on 08 August 2019

Predicting Protein Dimer Structures Using MELD × MD

scientific article published on 05 April 2019

Protein storytelling through physics

scientific article published on 01 November 2020

Sampling and refinement protocols for template-based macrocycle docking: 2018 D3R Grand Challenge 4

scientific article published on 26 December 2019

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