| Year |
Citation |
Score |
| 2025 |
Tribello GA, Bonomi M, Bussi G, Camilloni C, Armstrong BI, Arsiccio A, Aureli S, Ballabio F, Bernetti M, Bonati L, Brookes SGH, Brotzakis ZF, Capelli R, Ceriotti M, Chan KT, ... ... Salvalaglio M, et al. PLUMED Tutorials: A collaborative, community-driven learning ecosystem. The Journal of Chemical Physics. 162. PMID 40035582 DOI: 10.1063/5.0251501 |
0.684 |
|
| 2025 |
Bachtiger F, Rahimee A, Li L, Salvalaglio M. Solution Thermodynamics of l-Glutamic Acid Polymorphs from Finite-Sized Molecular Dynamics Simulations. Industrial & Engineering Chemistry Research. 64: 1309-1318. PMID 39830853 DOI: 10.1021/acs.iecr.4c02558 |
0.328 |
|
| 2024 |
Hunnisett LM, Nyman J, Francia N, Abraham NS, Adjiman CS, Aitipamula S, Alkhidir T, Almehairbi M, Anelli A, Anstine DM, Anthony JE, Arnold JE, Bahrami F, Bellucci MA, Bhardwaj RM, ... ... Salvalaglio M, et al. The seventh blind test of crystal structure prediction: structure generation methods. Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials. PMID 39405196 DOI: 10.1107/S2052520624007492 |
0.492 |
|
| 2024 |
Bjola A, Salvalaglio M. Estimating Free-Energy Surfaces and Their Convergence from Multiple, Independent Static and History-Dependent Biased Molecular-Dynamics Simulations with Mean Force Integration. Journal of Chemical Theory and Computation. 20: 5418-5427. PMID 38913384 DOI: 10.1021/acs.jctc.4c00091 |
0.426 |
|
| 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 |
0.744 |
|
| 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 |
0.443 |
|
| 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 |
0.729 |
|
| 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 |
0.404 |
|
| 2022 |
Finney AR, Salvalaglio M. Multiple pathways in NaCl homogeneous crystal nucleation. Faraday Discussions. PMID 35438090 DOI: 10.1039/d1fd00089f |
0.395 |
|
| 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 |
0.475 |
|
| 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 |
0.712 |
|
| 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 |
0.459 |
|
| 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 |
0.412 |
|
| 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 |
0.47 |
|
| 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 |
0.492 |
|
| 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 |
0.322 |
|
| 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 |
0.502 |
|
| 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 |
0.308 |
|
| 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 |
0.369 |
|
| 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 |
0.525 |
|
| 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 |
0.603 |
|
| 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 |
0.73 |
|
| 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 |
0.496 |
|
| 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 |
0.657 |
|
| 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 |
0.574 |
|
| 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 |
0.31 |
|
| 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 |
0.582 |
|
| 2015 |
Giberti F, Salvalaglio M, Parrinello M. Metadynamics studies of crystal nucleation. Iucrj. 2: 256-66. PMID 25866662 DOI: 10.1107/S2052252514027626 |
0.542 |
|
| 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 |
0.645 |
|
| 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 |
0.634 |
|
| 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 |
0.668 |
|
| 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 |
0.573 |
|
| 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 |
0.621 |
|
| 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 |
0.494 |
|
| 2015 |
Salvalaglio M, Mazzotti M, Parrinello M. Urea homogeneous nucleation mechanism is solvent dependent Faraday Discussions. 179: 291-307. DOI: 10.1039/c4fd00235k |
0.549 |
|
| 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 |
0.507 |
|
| 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 |
0.653 |
|
| 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 |
0.655 |
|
| 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 |
0.682 |
|
| 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 |
0.507 |
|
| 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 |
0.37 |
|
| 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 |
0.582 |
|
| 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 |
0.612 |
|
| 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 |
0.626 |
|
| 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 |
0.574 |
|
| 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 |
0.544 |
|
| 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 |
0.607 |
|
| 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 |
0.56 |
|
| 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 |
0.574 |
|
| 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 |
0.554 |
|
| 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 |
0.577 |
|
| 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 |
0.586 |
|
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