Emiliano Brini
Emiliano Brini
Laufer Junior Fellow, Laufer Center, Stony Brook University
確認したメール アドレス: stonybrook.edu
タイトル
引用先
引用先
Systematic coarse-graining methods for soft matter simulations–a review
E Brini, EA Algaer, P Ganguly, C Li, F Rodríguez-Ropero, ...
Soft Matter 9 (7), 2108-2119, 2013
2772013
How water’s properties are encoded in its molecular structure and energies
E Brini, CJ Fennell, M Fernandez-Serra, B Hribar-Lee, M Luksic, KA Dill
Chemical reviews 117 (19), 12385-12414, 2017
1392017
Conditional reversible work method for molecular coarse graining applications
E Brini, V Marcon, NFA van der Vegt
Physical Chemistry Chemical Physics 13 (22), 10468-10474, 2011
762011
Chemically transferable coarse-grained potentials from conditional reversible work calculations
E Brini, NFA Van der Vegt
The Journal of chemical physics 137 (15), 154113, 2012
562012
Grid-based backbone correction to the ff12SB protein force field for implicit-solvent simulations
A Perez, JL MacCallum, E Brini, C Simmerling, KA Dill
Journal of chemical theory and computation 11 (10), 4770-4779, 2015
482015
Shape governs the motion of chemically propelled janus swimmers
F Lugli, E Brini, F Zerbetto
The Journal of Physical Chemistry C 116 (1), 592-598, 2012
432012
Blind protein structure prediction using accelerated free-energy simulations
A Perez, JA Morrone, E Brini, JL MacCallum, KA Dill
Science advances 2 (11), e1601274, 2016
412016
Thermodynamic transferability of coarse-grained potentials for polymer–additive systems
E Brini, CR Herbers, G Deichmann, NFA van der Vegt
Physical Chemistry Chemical Physics 14 (34), 11896-11903, 2012
282012
Protein storytelling through physics
E Brini, C Simmerling, K Dill
Science 370 (6520), 2020
52020
NMR‐assisted protein structure prediction with MELDxMD
JC Robertson, R Nassar, C Liu, E Brini, KA Dill, A Perez
Proteins: Structure, Function, and Bioinformatics 87 (12), 1333-1340, 2019
52019
Modeling beta‐sheet peptide‐protein interactions: Rosetta FlexPepDock in CAPRI rounds 38‐45
A Khramushin, O Marcu, N Alam, O Shimony, D Padhorny, E Brini, KA Dill, ...
Proteins: Structure, Function, and Bioinformatics 88 (8), 1037-1049, 2020
42020
Adapting the semi-explicit assembly solvation model for estimating water-cyclohexane partitioning with the SAMPL5 molecules
E Brini, SS Paranahewage, CJ Fennell, KA Dill
Journal of computer-aided molecular design 30 (11), 1067-1077, 2016
42016
Sampling and refinement protocols for template-based macrocycle docking: 2018 D3R Grand Challenge 4
S Kotelnikov, A Alekseenko, C Liu, M Ignatov, D Padhorny, E Brini, ...
Journal of computer-aided molecular design 34 (2), 179-189, 2020
32020
Predicting protein dimer structures using MELD× MD
E Brini, D Kozakov, KA Dill
Journal of chemical theory and computation 15 (5), 3381-3389, 2019
32019
ClusPro in rounds 38 to 45 of CAPRI: Toward combining template‐based methods with free docking
D Padhorny, KA Porter, M Ignatov, A Alekseenko, D Beglov, S Kotelnikov, ...
Proteins: Structure, Function, and Bioinformatics 88 (8), 1082-1090, 2020
12020
Computing Ligands Bound to Proteins Using MELD-Accelerated MD
C Liu, E Brini, A Perez, KA Dill
Journal of Chemical Theory and Computation 16 (10), 6377-6382, 2020
2020
Computing Poses of Ligands Bound to Proteins using MELD Accelerated Molecular Dynamics
C Liu, E Brini, A Perez, KA Dill
Biophysical Journal 118 (3), 323a, 2020
2020
Determining Protein Structures using Accelerated MD Simulations and Noisy Data
R Nassar, A Perez, JC Robertson, C Liu, E Brini, KA Dill
Biophysical Journal 118 (3), 141a, 2020
2020
Blind protein structure prediction with physics and ambiguous data: CASP and CASP-NMR
A Perez, C Liu, E Brini, J Robertson, R Nassar, K Dill
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019
2019
Using information to reduce the phase space of molecular dynamic simulations of biologically relevant problems
E Brini, A Perez, J Robertson, C Liu, R Nassar, K Dill
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 255, 2018
2018
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