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Items: 37

1.

Synthetic design of growth factor sequestering extracellular matrix mimetic hydrogel for promoting in vivo bone formation.

Yan HJ, Casalini T, Hulsart-Billström G, Wang S, Oommen OP, Salvalaglio M, Larsson S, Hilborn J, Varghese OP.

Biomaterials. 2018 Apr;161:190-202. doi: 10.1016/j.biomaterials.2018.01.041. Epub 2018 Feb 3.

PMID:
29421555
2.

Complex dewetting scenarios of ultrathin silicon films for large-scale nanoarchitectures.

Naffouti M, Backofen R, Salvalaglio M, Bottein T, Lodari M, Voigt A, David T, Benkouider A, Fraj I, Favre L, Ronda A, Berbezier I, Grosso D, Abbarchi M, Bollani M.

Sci Adv. 2017 Nov 10;3(11):eaao1472. doi: 10.1126/sciadv.aao1472. eCollection 2017 Nov.

3.

Concentration gradient driven molecular dynamics: a new method for simulations of membrane permeation and separation.

Ozcan A, Perego C, Salvalaglio M, Parrinello M, Yazaydin O.

Chem Sci. 2017 May 1;8(5):3858-3865. doi: 10.1039/c6sc04978h. Epub 2017 Mar 20.

4.

Morphological Evolution of Pit-Patterned Si(001) Substrates Driven by Surface-Energy Reduction.

Salvalaglio M, Backofen R, Voigt A, Montalenti F.

Nanoscale Res Lett. 2017 Sep 29;12(1):554. doi: 10.1186/s11671-017-2320-5.

5.

Controlling the energy of defects and interfaces in the amplitude expansion of the phase-field crystal model.

Salvalaglio M, Backofen R, Voigt A, Elder KR.

Phys Rev E. 2017 Aug;96(2-1):023301. doi: 10.1103/PhysRevE.96.023301. Epub 2017 Aug 1.

PMID:
28950454
6.

CO2 packing polymorphism under pressure: Mechanism and thermodynamics of the I-III polymorphic transition.

Gimondi I, Salvalaglio M.

J Chem Phys. 2017 Sep 21;147(11):114502. doi: 10.1063/1.4993701.

PMID:
28938823
7.

Overcoming time scale and finite size limitations to compute nucleation rates from small scale well tempered metadynamics simulations.

Salvalaglio M, Tiwary P, Maggioni GM, Mazzotti M, Parrinello M.

J Chem Phys. 2016 Dec 7;145(21):211925. doi: 10.1063/1.4966265.

PMID:
28799374
8.

Into the Dynamics of a Supramolecular Polymer at Submolecular Resolution.

Bochicchio D, Salvalaglio M, Pavan GM.

Nat Commun. 2017 Jul 27;8(1):147. doi: 10.1038/s41467-017-00189-0.

9.

On the parallelism between the mechanisms behind chromatography and drug delivery: the role of interactions with a stationary phase.

Rossi F, Castiglione F, Salvalaglio M, Ferro M, Moioli M, Mauri E, Masi M, Mele A.

Phys Chem Chem Phys. 2017 May 10;19(18):11518-11528. doi: 10.1039/c7cp00832e.

PMID:
28425554
10.

Analyzing and Driving Cluster Formation in Atomistic Simulations.

Tribello GA, Giberti F, Sosso GC, Salvalaglio M, Parrinello M.

J Chem Theory Comput. 2017 Mar 14;13(3):1317-1327. doi: 10.1021/acs.jctc.6b01073. Epub 2017 Feb 8.

PMID:
28121147
11.

Communication: Role of explicit water models in the helix folding/unfolding processes.

Palazzesi F, Salvalaglio M, Barducci A, Parrinello M.

J Chem Phys. 2016 Sep 28;145(12):121101.

PMID:
27782670
12.

Reduced-Pressure Chemical Vapor Deposition Growth of Isolated Ge Crystals and Suspended Layers on Micrometric Si Pillars.

Skibitzki O, Capellini G, Yamamoto Y, Zaumseil P, Schubert MA, Schroeder T, Ballabio A, Bergamaschini R, Salvalaglio M, Miglio L, Montalenti F.

ACS Appl Mater Interfaces. 2016 Oct 5;8(39):26374-26380. Epub 2016 Sep 26.

PMID:
27603117
13.

Tackling amyloidogenesis in Alzheimer's disease with A2V variants of Amyloid-β.

Di Fede G, Catania M, Maderna E, Morbin M, Moda F, Colombo L, Rossi A, Cagnotto A, Virgilio T, Palamara L, Ruggerone M, Giaccone G, Campagnani I, Costanza M, Pedotti R, Salvalaglio M, Salmona M, Tagliavini F.

Sci Rep. 2016 Feb 11;6:20949. doi: 10.1038/srep20949.

14.

Highly Mismatched, Dislocation-Free SiGe/Si Heterostructures.

Isa F, Salvalaglio M, Dasilva YA, Meduňa M, Barget M, Jung A, Kreiliger T, Isella G, Erni R, Pezzoli F, Bonera E, Niedermann P, Gröning P, Montalenti F, von Känel H.

Adv Mater. 2016 Feb 3;28(5):884-8. doi: 10.1002/adma.201504029. Epub 2015 Dec 3.

PMID:
26829168
15.

Photodetection in Hybrid Single-Layer Graphene/Fully Coherent Germanium Island Nanostructures Selectively Grown on Silicon Nanotip Patterns.

Niu G, Capellini G, Lupina G, Niermann T, Salvalaglio M, Marzegalli A, Schubert MA, Zaumseil P, Krause HM, Skibitzki O, Lehmann M, Montalenti F, Xie YH, Schroeder T.

ACS Appl Mater Interfaces. 2016 Jan 27;8(3):2017-26. doi: 10.1021/acsami.5b10336. Epub 2016 Jan 13.

PMID:
26709534
16.

A two level hierarchical model of protein retention in ion exchange chromatography.

Salvalaglio M, Paloni M, Guelat B, Morbidelli M, Cavallotti C.

J Chromatogr A. 2015 Sep 11;1411:50-62. doi: 10.1016/j.chroma.2015.07.101. Epub 2015 Jul 29.

PMID:
26278361
17.

Engineered Coalescence by Annealing 3D Ge Microstructures into High-Quality Suspended Layers on Si.

Salvalaglio M, Bergamaschini R, Isa F, Scaccabarozzi A, Isella G, Backofen R, Voigt A, Montalenti F, Capellini G, Schroeder T, von Känel H, Miglio L.

ACS Appl Mater Interfaces. 2015 Sep 2;7(34):19219-25. doi: 10.1021/acsami.5b05054. Epub 2015 Aug 20.

PMID:
26252761
18.

Solvent and additive interactions as determinants in the nucleation pathway: general discussion.

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, Black S, Mackenzie A, Janbon S, Vekilov P, Threlfall T, Turner T, Back K, Cuppen H, Toroz D, Sefcik J, Lovelock J, Hammond R, Candoni N, Simone E, Ward M, Bertran CA, Vetter T, Sear R, De Yoreo J, Davey R, Anwar J, Santiso E, Wu DT, Roberts K, Peters B, Schroeder S, Jones F, Rasmuson A, Cölfen H, Zeglinski J, Salvalaglio M.

Faraday Discuss. 2015;179:383-420. doi: 10.1039/c5fd90038g. Epub 2015 Jun 17. No abstract available.

PMID:
26083497
19.

Nucleation in complex multi-component and multi-phase systems: general discussion.

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, Taulelle F, Black S, Threlfall T, Vekilov P, Poornachary S, Diemand J, Toroz D, Salvalaglio M, Tipduangta P, Sefcik J, Booth S, Rasmuson A, Janbon S, Ter Horst J, Simone E, Hammond R, Bertran CA, Vetter T, Sear R, De Yoreo J, Harris K, Ristic R, Kavanagh A, Roberts K, Breynaert E, Myerson A, Coquerel G, Wu D, Cölfen H, Cuppen H, Smets M, Wu DT.

Faraday Discuss. 2015;179:503-42. doi: 10.1039/c5fd90039e. Epub 2015 Jun 17. No abstract available.

PMID:
26081969
20.

InAs/GaAs Sharply Defined Axial Heterostructures in Self-Assisted Nanowires.

Scarpellini D, Somaschini C, Fedorov A, Bietti S, Frigeri C, Grillo V, Esposito L, Salvalaglio M, Marzegalli A, Montalenti F, Bonera E, Medaglia PG, Sanguinetti S.

Nano Lett. 2015 Jun 10;15(6):3677-83. doi: 10.1021/nl504690r. Epub 2015 May 7.

PMID:
25942628
21.

Molecular dynamics simulations of solutions at constant chemical potential.

Perego C, Salvalaglio M, Parrinello M.

J Chem Phys. 2015 Apr 14;142(14):144113. doi: 10.1063/1.4917200.

PMID:
25877568
22.

Metadynamics studies of crystal nucleation.

Giberti F, Salvalaglio M, Parrinello M.

IUCrJ. 2015 Feb 10;2(Pt 2):256-66. doi: 10.1107/S2052252514027626. eCollection 2015 Mar 1. Review.

23.

Urea homogeneous nucleation mechanism is solvent dependent.

Salvalaglio M, Mazzotti M, Parrinello M.

Faraday Discuss. 2015;179:291-307. doi: 10.1039/c4fd00235k. Epub 2015 Apr 13.

PMID:
25865566
24.

Kinetics of protein-ligand unbinding: Predicting pathways, rates, and rate-limiting steps.

Tiwary P, Limongelli V, Salvalaglio M, Parrinello M.

Proc Natl Acad Sci U S A. 2015 Feb 3;112(5):E386-91. doi: 10.1073/pnas.1424461112. Epub 2015 Jan 20.

25.

Molecular-dynamics simulations of urea nucleation from aqueous solution.

Salvalaglio M, Perego C, Giberti F, Mazzotti M, Parrinello M.

Proc Natl Acad Sci U S A. 2015 Jan 6;112(1):E6-14. doi: 10.1073/pnas.1421192111. Epub 2014 Dec 9.

26.

Assessing the Reliability of the Dynamics Reconstructed from Metadynamics.

Salvalaglio M, Tiwary P, Parrinello M.

J Chem Theory Comput. 2014 Apr 8;10(4):1420-5. doi: 10.1021/ct500040r. Epub 2014 Mar 10.

PMID:
26580360
27.

1,3,5-Tris(4-bromophenyl)benzene prenucleation clusters from metadynamics.

Salvalaglio M, Giberti F, Parrinello M.

Acta Crystallogr C Struct Chem. 2014 Feb;70(Pt 2):132-6. doi: 10.1107/S2053229613026946. Epub 2014 Jan 31.

PMID:
24508958
28.

Controlling and predicting crystal shapes: the case of urea.

Salvalaglio M, Vetter T, Mazzotti M, Parrinello M.

Angew Chem Int Ed Engl. 2013 Dec 9;52(50):13369-72. doi: 10.1002/anie.201304562. Epub 2013 Oct 24. No abstract available.

PMID:
24166825
29.

Uncovering molecular details of urea crystal growth in the presence of additives.

Salvalaglio M, Vetter T, Giberti F, Mazzotti M, Parrinello M.

J Am Chem Soc. 2012 Oct 17;134(41):17221-33. doi: 10.1021/ja307408x. Epub 2012 Oct 4.

PMID:
22992035
30.

Molecular modeling to rationalize ligand-support interactions in affinity chromatography.

Salvalaglio M, Cavallotti C.

J Sep Sci. 2012 Jan;35(1):7-19. doi: 10.1002/jssc.201100595. Epub 2011 Dec 2.

PMID:
22139995
31.

Structural refinement of protein A mimetic peptide.

Dinon F, Salvalaglio M, Gallotta A, Beneduce L, Pengo P, Cavallotti C, Fassina G.

J Mol Recognit. 2011 Nov-Dec;24(6):1087-94. doi: 10.1002/jmr.1157.

PMID:
22038815
32.

Diffusion and aggregation of sodium fluorescein in aqueous solutions.

Casalini T, Salvalaglio M, Perale G, Masi M, Cavallotti C.

J Phys Chem B. 2011 Nov 10;115(44):12896-904. doi: 10.1021/jp207459k. Epub 2011 Oct 19.

PMID:
21957875
33.

Determination of energies and sites of binding of PFOA and PFOS to human serum albumin.

Salvalaglio M, Muscionico I, Cavallotti C.

J Phys Chem B. 2010 Nov 25;114(46):14860-74. doi: 10.1021/jp106584b. Epub 2010 Oct 28.

PMID:
21028884
34.

Experimental and theoretical investigation of effect of spacer arm and support matrix of synthetic affinity chromatographic materials for the purification of monoclonal antibodies.

Zamolo L, Salvalaglio M, Cavallotti C, Galarza B, Sadler C, Williams S, Hofer S, Horak J, Lindner W.

J Phys Chem B. 2010 Jul 29;114(29):9367-80. doi: 10.1021/jp1017168.

PMID:
20590137
35.

Structural characterization of a Protein A mimetic peptide dendrimer bound to human IgG.

Moiani D, Salvalaglio M, Cavallotti C, Bujacz A, Redzynia I, Bujacz G, Dinon F, Pengo P, Fassina G.

J Phys Chem B. 2009 Dec 17;113(50):16268-75. doi: 10.1021/jp909405b.

PMID:
19924842
36.

Understanding ligand-protein interactions in affinity membrane chromatography for antibody purification.

Boi C, Busini V, Salvalaglio M, Cavallotti C, Sarti GC.

J Chromatogr A. 2009 Dec 11;1216(50):8687-96. doi: 10.1016/j.chroma.2009.05.045. Epub 2009 May 27.

PMID:
19535082
37.

Molecular modeling of protein A affinity chromatography.

Salvalaglio M, Zamolo L, Busini V, Moscatelli D, Cavallotti C.

J Chromatogr A. 2009 Dec 11;1216(50):8678-86. doi: 10.1016/j.chroma.2009.04.035. Epub 2009 Apr 18.

PMID:
19423117

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