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Matteo Salvalaglio
Matteo Salvalaglio
University College London, Department of Chemical Engineering
Подтвержден адрес электронной почты в домене ucl.ac.uk - Главная страница
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Процитировано
Год
Promoting transparency and reproducibility in enhanced molecular simulations
Nature methods 16 (8), 670-673, 2019
8382019
Kinetics of protein–ligand unbinding: Predicting pathways, rates, and rate-limiting steps
P Tiwary, V Limongelli, M Salvalaglio, M Parrinello
Proceedings of the National Academy of Sciences 112 (5), E386-E391, 2015
3922015
Assessing the reliability of the dynamics reconstructed from metadynamics
M Salvalaglio, P Tiwary, M Parrinello
Journal of chemical theory and computation 10 (4), 1420-1425, 2014
2292014
Uncovering molecular details of urea crystal growth in the presence of additives
M Salvalaglio, T Vetter, F Giberti, M Mazzotti, M Parrinello
Journal of the American Chemical Society 134 (41), 17221-17233, 2012
2112012
Molecular-dynamics simulations of urea nucleation from aqueous solution
M Salvalaglio, C Perego, F Giberti, M Mazzotti, M Parrinello
Proceedings of the National Academy of Sciences 112 (1), E6-E14, 2015
1872015
Into the dynamics of a supramolecular polymer at submolecular resolution
D Bochicchio, M Salvalaglio, GM Pavan
Nature Communications 8 (1), 147, 2017
1352017
Determination of energies and sites of binding of PFOA and PFOS to human serum albumin
M Salvalaglio, I Muscionico, C Cavallotti
The journal of physical chemistry B 114 (46), 14860-14874, 2010
1282010
Diffusion and aggregation of sodium fluorescein in aqueous solutions
T Casalini, M Salvalaglio, G Perale, M Masi, C Cavallotti
The Journal of Physical Chemistry B 115 (44), 12896-12904, 2011
1232011
Controlling and predicting crystal shapes: The case of urea
M Salvalaglio, T Vetter, M Mazzotti, M Parrinello
Angewandte Chemie 125 (50), 13611-13614, 2013
1192013
Metadynamics studies of crystal nucleation
F Giberti, M Salvalaglio, M Parrinello
IUCrJ 2 (2), 256-266, 2015
1132015
Analyzing and driving cluster formation in atomistic simulations
GA Tribello, F Giberti, GC Sosso, M Salvalaglio, M Parrinello
Journal of chemical theory and computation 13 (3), 1317-1327, 2017
1032017
Insight into the nucleation of urea crystals from the melt
F Giberti, M Salvalaglio, M Mazzotti, M Parrinello
Chemical Engineering Science 121, 51-59, 2014
912014
Synthetic design of growth factor sequestering extracellular matrix mimetic hydrogel for promoting in vivo bone formation
HJ Yan, T Casalini, G Hulsart-Billström, S Wang, OP Oommen, ...
Biomaterials 161, 190-202, 2018
882018
Concentration gradient driven molecular dynamics: a new method for simulations of membrane permeation and separation
A Ozcan, C Perego, M Salvalaglio, M Parrinello, O Yazaydin
Chemical science 8 (5), 3858-3865, 2017
882017
Molecular dynamics simulations of solutions at constant chemical potential
C Perego, M Salvalaglio, M Parrinello
The Journal of chemical physics 142 (14), 2015
862015
Urea homogeneous nucleation mechanism is solvent dependent
M Salvalaglio, M Mazzotti, M Parrinello
Faraday discussions 179, 291-307, 2015
742015
Molecular modeling of Protein A affinity chromatography
M Salvalaglio, L Zamolo, V Busini, D Moscatelli, C Cavallotti
Journal of Chromatography A 1216 (50), 8678-8686, 2009
652009
Structural characterization of a Protein A mimetic peptide dendrimer bound to human IgG
D Moiani, M Salvalaglio, C Cavallotti, A Bujacz, I Redzynia, G Bujacz, ...
The Journal of Physical Chemistry B 113 (50), 16268-16275, 2009
602009
Overcoming time scale and finite size limitations to compute nucleation rates from small scale well tempered metadynamics simulations
M Salvalaglio, P Tiwary, GM Maggioni, M Mazzotti, M Parrinello
The Journal of chemical physics 145 (21), 2016
542016
Electrochemistry, Ion Adsorption and Dynamics in the Double Layer: A Study of NaCl (aq) on Graphite
AR Finney, IJ McPherson, PR Unwin, M Salvalaglio
Chemical Science 2021 (12), 11166-11180, 2021
462021
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