フォロー
Emiliano Brini
Emiliano Brini
School of Chemistry and Material Science - RIT
確認したメール アドレス: rit.edu - ホームページ
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
3802013
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
3772017
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
972011
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
772015
Chemically transferable coarse-grained potentials from conditional reversible work calculations
E Brini, NFA Van der Vegt
The Journal of Chemical Physics 137 (15), 2012
692012
Protein storytelling through physics
E Brini, C Simmerling, K Dill
Science 370 (6520), eaaz3041, 2020
652020
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
642016
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
562012
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
332012
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
222019
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
162020
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, 179-189, 2020
152020
Predicting protein dimer structures using MELD× MD
E Brini, D Kozakov, KA Dill
Journal of chemical theory and computation 15 (5), 3381-3389, 2019
152019
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
112020
Accelerating Protein Folding Molecular Dynamics Using Inter-Residue Distances from Machine Learning Servers
R Nassar, E Brini, S Parui, C Liu, GL Dignon, KA Dill
Journal of Chemical Theory and Computation 18 (3), 1929-1935, 2022
92022
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
82020
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, 1067-1077, 2016
72016
Accelerating Molecular Dynamics Enrichments of High-Affinity Ligands for Proteins
C Liu, E Brini, KA Dill
Journal of Chemical Theory and Computation 18 (1), 374-379, 2021
22021
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
12020
Energy-based clustering of protein structures
T Ruggiero, E Brini
Biophysical Journal 123 (3), 57a, 2024
2024
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論文 1–20