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Matteo Salvalaglio - Publications

Affiliations: 
University College London, London, United Kingdom 
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49 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2024 Advincula XR, Blow KE, Bonn M, Bui AT, Cheng Y, Cox SJ, Della Pia F, Diebold U, Fumagalli L, Goel G, Hayton JA, Jiang Y, Kapil V, Kavokine N, Koga K, ... ... Salvalaglio M, et al. Dynamics and nano-rheology of interfacial water: general discussion. Faraday Discussions. PMID 38174388 DOI: 10.1039/d3fd90064a  0.737
2023 Leanza L, Perego C, Pesce L, Salvalaglio M, von Delius M, Pavan GM. Into the dynamics of rotaxanes at atomistic resolution. Chemical Science. 14: 6716-6729. PMID 37350834 DOI: 10.1039/d3sc01593a  0.354
2023 Karmakar T, Finney AR, Salvalaglio M, Yazaydin AO, Perego C. Non-Equilibrium Modeling of Concentration-Driven processes with Constant Chemical Potential Molecular Dynamics Simulations. Accounts of Chemical Research. 56: 1156-1167. PMID 37120847 DOI: 10.1021/acs.accounts.2c00811  0.743
2023 Li L, Paloni M, Finney AR, Barducci A, Salvalaglio M. Nucleation of Biomolecular Condensates from Finite-Sized Simulations. The Journal of Physical Chemistry Letters. 14: 1748-1755. PMID 36758221 DOI: 10.1021/acs.jpclett.2c03512  0.313
2022 Finney AR, Salvalaglio M. Multiple pathways in NaCl homogeneous crystal nucleation. Faraday Discussions. PMID 35438090 DOI: 10.1039/d1fd00089f  0.301
2019 Marinova V, Salvalaglio M. Time-independent free energies from metadynamics via mean force integration. The Journal of Chemical Physics. 151: 164115. PMID 31675889 DOI: 10.1063/1.5123498  0.396
2019 Bonomi M, Bussi G, Camilloni C, Tribello GA, Banáš P, Barducci A, Bernetti M, Bolhuis PG, Bottaro S, Branduardi D, Capelli R, Carloni P, Ceriotti M, Cesari A, Chen H, ... ... Salvalaglio M, et al. Promoting transparency and reproducibility in enhanced molecular simulations Nature Methods. 16: 670-673. PMID 31363226 DOI: 10.1038/S41592-019-0506-8  0.716
2019 Kollias L, Cantu DC, Tubbs MA, Rousseau R, Glezakou VA, Salvalaglio M. Molecular level understanding of the free energy landscape in early stages of MOF nucleation. Journal of the American Chemical Society. PMID 30887804 DOI: 10.1021/Jacs.9B01829  0.386
2019 Fulford M, Salvalaglio M, Molteni C. DeepIce: A Deep Neural Network Approach To Identify Ice and Water Molecules. Journal of Chemical Information and Modeling. 59: 2141-2149. PMID 30875217 DOI: 10.1021/Acs.Jcim.9B00005  0.32
2019 Marinova V, Wood GPF, Marziano I, Salvalaglio M. Solvent Dynamics and Thermodynamics at the Crystal–Solution Interface of Ibuprofen Crystal Growth & Design. 19: 6534-6541. DOI: 10.1021/Acs.Cgd.9B00983  0.402
2018 Marinova V, Wood GPF, Marziano I, Salvalaglio M. Dynamics and thermodynamics of Ibuprofen conformational isomerism at the crystal/solution interface. Journal of Chemical Theory and Computation. PMID 30359527 DOI: 10.1021/Acs.Jctc.8B00702  0.433
2018 Gimondi I, Tribello GA, Salvalaglio M. Building maps in collective variable space. The Journal of Chemical Physics. 149: 104104. PMID 30219018 DOI: 10.1063/1.5027528  0.325
2017 Ozcan A, Perego C, Salvalaglio M, Parrinello M, Yazaydin O. Concentration gradient driven molecular dynamics: a new method for simulations of membrane permeation and separation. Chemical Science. 8: 3858-3865. PMID 28966778 DOI: 10.1039/C6Sc04978H  0.512
2017 Gimondi I, Salvalaglio M. CO2 packing polymorphism under pressure: Mechanism and thermodynamics of the I-III polymorphic transition. The Journal of Chemical Physics. 147: 114502. PMID 28938823 DOI: 10.1063/1.4993701  0.313
2017 Bochicchio D, Salvalaglio M, Pavan GM. Into the Dynamics of a Supramolecular Polymer at Submolecular Resolution. Nature Communications. 8: 147. PMID 28747661 DOI: 10.1038/S41467-017-00189-0  0.38
2017 Tribello GA, Giberti F, Sosso GC, Salvalaglio M, Parrinello M. Analyzing and Driving Cluster Formation in Atomistic Simulations. Journal of Chemical Theory and Computation. PMID 28121147 DOI: 10.1021/Acs.Jctc.6B01073  0.535
2017 Giberti F, Salvalaglio M, Mazzotti M, Parrinello M. 1,3,5-tris(4-bromophenyl)-benzene Nucleation: From Dimers to Needle-like Clusters Crystal Growth & Design. 17: 4137-4143. DOI: 10.1021/Acs.Cgd.7B00410  0.61
2016 Salvalaglio M, Tiwary P, Maggioni GM, Mazzotti M, Parrinello M. Overcoming time scale and finite size limitations to compute nucleation rates from small scale well tempered metadynamics simulations. The Journal of Chemical Physics. 145: 211925. PMID 28799374 DOI: 10.1063/1.4966265  0.735
2016 Palazzesi F, Salvalaglio M, Barducci A, Parrinello M. Communication: Role of explicit water models in the helix folding/unfolding processes. The Journal of Chemical Physics. 145: 121101. PMID 27782670 DOI: 10.1063/1.4963340  0.5
2016 Bjelobrk Z, Salvalaglio M, Parrinello M, Mazzotti M. Predicting urea crystal shapes grown from solution with molecular dynamics simulations Acta Crystallographica Section A. 72. DOI: 10.1107/S2053273316098090  0.671
2015 Salvalaglio M, Paloni M, Guelat B, Morbidelli M, Cavallotti C. A two level hierarchical model of protein retention in ion exchange chromatography. Journal of Chromatography. A. 1411: 50-62. PMID 26278361 DOI: 10.1016/J.Chroma.2015.07.101  0.579
2015 Sun CC, Sun W, Price S, Hughes C, Ter Horst J, Veesler S, Lewtas K, Myerson A, Pan H, Coquerel G, van den Ende J, Meekes H, Mazzotti M, Rosbottom I, Taulelle F, ... ... Salvalaglio M, et al. Solvent and additive interactions as determinants in the nucleation pathway: general discussion. Faraday Discussions. 179: 383-420. PMID 26083497 DOI: 10.1039/C5Fd90038G  0.512
2015 Price S, Rimez B, Sun W, Peters B, Christenson H, Hughes C, Sun CC, Veesler S, Pan H, Brandel C, Biscans B, Meekes H, Rosbottom I, Roth WJ, Seton L, ... ... Salvalaglio M, et al. Nucleation in complex multi-component and multi-phase systems: general discussion. Faraday Discussions. 179: 503-42. PMID 26081969 DOI: 10.1039/C5Fd90039E  0.32
2015 Perego C, Salvalaglio M, Parrinello M. Molecular dynamics simulations of solutions at constant chemical potential. The Journal of Chemical Physics. 142: 144113. PMID 25877568 DOI: 10.1063/1.4917200  0.601
2015 Giberti F, Salvalaglio M, Parrinello M. Metadynamics studies of crystal nucleation. Iucrj. 2: 256-66. PMID 25866662 DOI: 10.1107/S2052252514027626  0.552
2015 Salvalaglio M, Mazzotti M, Parrinello M. Urea homogeneous nucleation mechanism is solvent dependent. Faraday Discussions. 179: 291-307. PMID 25865566 DOI: 10.1039/C4Fd00235K  0.656
2015 Tiwary P, Limongelli V, Salvalaglio M, Parrinello M. Kinetics of protein-ligand unbinding: Predicting pathways, rates, and rate-limiting steps. Proceedings of the National Academy of Sciences of the United States of America. 112: E386-91. PMID 25605901 DOI: 10.1073/Pnas.1424461112  0.645
2015 Salvalaglio M, Perego C, Giberti F, Mazzotti M, Parrinello M. Molecular-dynamics simulations of urea nucleation from aqueous solution. Proceedings of the National Academy of Sciences of the United States of America. 112: E6-14. PMID 25492932 DOI: 10.1073/Pnas.1421192111  0.679
2015 Tiwary P, Limongelli V, Salvalaglio M, Parrinello M. Kinetics of protein-ligand unbinding: Predicting pathways, rates, and rate-limiting steps Proceedings of the National Academy of Sciences of the United States of America. 112: E386-E391. DOI: 10.1073/pnas.1424461112  0.588
2015 Salvalaglio M, Perego C, Giberti F, Mazzotti M, Parrinello M. Molecular-dynamics simulations of urea nucleation from aqueous solution Proceedings of the National Academy of Sciences of the United States of America. 112: E6-E14. DOI: 10.1073/pnas.1421192111  0.638
2015 Perego C, Salvalaglio M, Parrinello M. Molecular dynamics simulations of solutions at constant chemical potential Journal of Chemical Physics. 142. DOI: 10.1063/1.4917200  0.519
2015 Salvalaglio M, Mazzotti M, Parrinello M. Urea homogeneous nucleation mechanism is solvent dependent Faraday Discussions. 179: 291-307. DOI: 10.1039/c4fd00235k  0.559
2015 Fernández-Ronco MP, Salvalaglio M, Kluge J, Mazzotti M. Study of the preparation of amorphous itraconazole formulations Crystal Growth and Design. 15: 2686-2694. DOI: 10.1021/Cg501892J  0.517
2015 Sosso GC, Salvalaglio M, Behler J, Bernasconi M, Parrinello M. Heterogeneous crystallization of the phase change material GeTe via atomistic simulations Journal of Physical Chemistry C. 119: 6428-6434. DOI: 10.1021/Acs.Jpcc.5B00296  0.658
2015 Giberti F, Salvalaglio M, Mazzotti M, Parrinello M. Insight into the nucleation of urea crystals from the melt Chemical Engineering Science. 121: 51-59. DOI: 10.1016/J.Ces.2014.08.032  0.666
2014 Salvalaglio M, Tiwary P, Parrinello M. Assessing the Reliability of the Dynamics Reconstructed from Metadynamics. Journal of Chemical Theory and Computation. 10: 1420-5. PMID 26580360 DOI: 10.1021/Ct500040R  0.69
2014 Salvalaglio M, Giberti F, Parrinello M. 1,3,5-Tris(4-bromophenyl)benzene prenucleation clusters from metadynamics. Acta Crystallographica. Section C, Structural Chemistry. 70: 132-6. PMID 24508958 DOI: 10.1107/S2053229613026946  0.519
2014 Salvalaglio M, Giberti F, Parrinello M. 1,3,5-Tris(4-bromophenyl)benzene prenucleation clusters from meta-dynamics Acta Crystallographica Section C: Structural Chemistry. 70: 132-136. DOI: 10.1107/S2053229613026946  0.381
2014 Salvalaglio M, Tiwary P, Parrinello M. Assessing the reliability of the dynamics reconstructed from metadynamics Journal of Chemical Theory and Computation. 10: 1420-1425. DOI: 10.1021/ct500040r  0.595
2013 Salvalaglio M, Vetter T, Mazzotti M, Parrinello M. Controlling and predicting crystal shapes: the case of urea. Angewandte Chemie (International Ed. in English). 52: 13369-72. PMID 24166825 DOI: 10.1002/Anie.201304562  0.619
2012 Salvalaglio M, Vetter T, Giberti F, Mazzotti M, Parrinello M. Uncovering molecular details of urea crystal growth in the presence of additives. Journal of the American Chemical Society. 134: 17221-33. PMID 22992035 DOI: 10.1021/Ja307408X  0.632
2012 Salvalaglio M, Cavallotti C. Molecular modeling to rationalize ligand-support interactions in affinity chromatography. Journal of Separation Science. 35: 7-19. PMID 22139995 DOI: 10.1002/Jssc.201100595  0.579
2011 Dinon F, Salvalaglio M, Gallotta A, Beneduce L, Pengo P, Cavallotti C, Fassina G. Structural refinement of protein A mimetic peptide. Journal of Molecular Recognition : Jmr. 24: 1087-94. PMID 22038815 DOI: 10.1002/Jmr.1157  0.547
2011 Casalini T, Salvalaglio M, Perale G, Masi M, Cavallotti C. Diffusion and aggregation of sodium fluorescein in aqueous solutions. The Journal of Physical Chemistry. B. 115: 12896-904. PMID 21957875 DOI: 10.1021/Jp207459K  0.614
2010 Salvalaglio M, Muscionico I, Cavallotti C. Determination of energies and sites of binding of PFOA and PFOS to human serum albumin. The Journal of Physical Chemistry. B. 114: 14860-74. PMID 21028884 DOI: 10.1021/Jp106584B  0.565
2010 Zamolo L, Salvalaglio M, Cavallotti C, Galarza B, Sadler C, Williams S, Hofer S, Horak J, Lindner W. Experimental and theoretical investigation of effect of spacer arm and support matrix of synthetic affinity chromatographic materials for the purification of monoclonal antibodies. The Journal of Physical Chemistry. B. 114: 9367-80. PMID 20590137 DOI: 10.1021/Jp1017168  0.583
2009 Moiani D, Salvalaglio M, Cavallotti C, Bujacz A, Redzynia I, Bujacz G, Dinon F, Pengo P, Fassina G. Structural characterization of a Protein A mimetic peptide dendrimer bound to human IgG. Journal of Physical Chemistry B. 113: 16268-16275. PMID 19924842 DOI: 10.1021/Jp909405B  0.56
2009 Boi C, Busini V, Salvalaglio M, Cavallotti C, Sarti GC. Understanding ligand-protein interactions in affinity membrane chromatography for antibody purification. Journal of Chromatography. A. 1216: 8687-96. PMID 19535082 DOI: 10.1016/J.Chroma.2009.05.045  0.587
2009 Salvalaglio M, Zamolo L, Busini V, Moscatelli D, Cavallotti C. Molecular modeling of protein A affinity chromatography. Journal of Chromatography. A. 1216: 8678-86. PMID 19423117 DOI: 10.1016/J.Chroma.2009.04.035  0.596
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