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Items: 1 to 20 of 44

1.

An atomistic view of Hsp70 allosteric crosstalk: from the nucleotide to the substrate binding domain and back.

Chiappori F, Merelli I, Milanesi L, Colombo G, Morra G.

Sci Rep. 2016 Mar 30;6:23474. doi: 10.1038/srep23474.

2.

A novel molecular dynamics approach to evaluate the effect of phosphorylation on multimeric protein interface: the αB-Crystallin case study.

Chiappori F, Mattiazzi L, Milanesi L, Merelli I.

BMC Bioinformatics. 2016 Mar 2;17 Suppl 4:57. doi: 10.1186/s12859-016-0909-9.

3.

Portals and Web-based Resources for Virtual Screening.

Krüger J, Thiel P, Merelli I, Grunzke R, Gesing S.

Curr Drug Targets. 2016 Jan 31. [Epub ahead of print]

PMID:
26844570
4.

HPC analysis of multiple binding sites communication and allosteric modulations in drug design: the HSP case study.

Chiappori F, Milanesi L, Merelli I.

Curr Drug Targets. 2015 Dec 9. [Epub ahead of print]

PMID:
26648062
5.

How computer science can help in understanding the 3D genome architecture.

Shavit Y, Merelli I, Milanesi L, Lio' P.

Brief Bioinform. 2015 Oct 3. pii: bbv085. [Epub ahead of print]

PMID:
26433013
6.

DnaK as Antibiotic Target: Hot Spot Residues Analysis for Differential Inhibition of the Bacterial Protein in Comparison with the Human HSP70.

Chiappori F, Fumian M, Milanesi L, Merelli I.

PLoS One. 2015 Apr 23;10(4):e0124563. doi: 10.1371/journal.pone.0124563. eCollection 2015.

7.

Integrating multi-omic features exploiting Chromosome Conformation Capture data.

Merelli I, Tordini F, Drocco M, Aldinucci M, Liò P, Milanesi L.

Front Genet. 2015 Feb 11;6:40. doi: 10.3389/fgene.2015.00040. eCollection 2015.

8.

High-performance computing and big data in omics-based medicine.

Merelli I, Pérez-Sánchez H, Gesing S, D'Agostino D.

Biomed Res Int. 2014;2014:825649. doi: 10.1155/2014/825649. Epub 2014 Dec 22. No abstract available.

9.

Managing, analysing, and integrating big data in medical bioinformatics: open problems and future perspectives.

Merelli I, Pérez-Sánchez H, Gesing S, D'Agostino D.

Biomed Res Int. 2014;2014:134023. doi: 10.1155/2014/134023. Epub 2014 Sep 1. Review.

10.

Parallel solutions for voxel-based simulations of reaction-diffusion systems.

D'Agostino D, Pasquale G, Clematis A, Maj C, Mosca E, Milanesi L, Merelli I.

Biomed Res Int. 2014;2014:980501. doi: 10.1155/2014/980501. Epub 2014 Jun 12.

11.

Cloud infrastructures for in silico drug discovery: economic and practical aspects.

D'Agostino D, Clematis A, Quarati A, Cesini D, Chiappori F, Milanesi L, Merelli I.

Biomed Res Int. 2013;2013:138012. doi: 10.1155/2013/138012. Epub 2013 Sep 10.

12.

NuChart: an R package to study gene spatial neighbourhoods with multi-omics annotations.

Merelli I, Liò P, Milanesi L.

PLoS One. 2013 Sep 19;8(9):e75146. doi: 10.1371/journal.pone.0075146. eCollection 2013.

13.

Static and dynamic interactions between GALK enzyme and known inhibitors: guidelines to design new drugs for galactosemic patients.

Chiappori F, Merelli I, Milanesi L, Marabotti A.

Eur J Med Chem. 2013 May;63:423-34. doi: 10.1016/j.ejmech.2013.02.021. Epub 2013 Feb 27.

PMID:
23517731
14.

Sensitivity analysis for studying the relation between biochemical reactions and metabolic phenotypes.

Maj C, Mosca E, Merelli I, Mauri G, Milanesi L.

J Bioinform Comput Biol. 2013 Feb;11(1):1340002. doi: 10.1142/S0219720013400027. Epub 2013 Jan 28.

PMID:
23427984
15.

SNPranker 2.0: a gene-centric data mining tool for diseases associated SNP prioritization in GWAS.

Merelli I, Calabria A, Cozzi P, Viti F, Mosca E, Milanesi L.

BMC Bioinformatics. 2013;14 Suppl 1:S9. doi: 10.1186/1471-2105-14-S1-S9. Epub 2013 Jan 14.

16.

Molecular mechanism of allosteric communication in Hsp70 revealed by molecular dynamics simulations.

Chiappori F, Merelli I, Colombo G, Milanesi L, Morra G.

PLoS Comput Biol. 2012;8(12):e1002844. doi: 10.1371/journal.pcbi.1002844. Epub 2012 Dec 27.

17.

IBDsite: a Galaxy-interacting, integrative database for supporting inflammatory bowel disease high throughput data analysis.

Merelli I, Viti F, Milanesi L.

BMC Bioinformatics. 2012;13 Suppl 14:S5. doi: 10.1186/1471-2105-13-S14-S5. Epub 2012 Sep 7.

18.

Structural thermal adaptation of β-tubulins from the Antarctic psychrophilic protozoan Euplotes focardii.

Chiappori F, Pucciarelli S, Merelli I, Ballarini P, Miceli C, Milanesi L.

Proteins. 2012 Apr;80(4):1154-66. doi: 10.1002/prot.24016. Epub 2012 Jan 24.

PMID:
22275059
19.

myMIR: a genome-wide microRNA targets identification and annotation tool.

Corrada D, Viti F, Merelli I, Battaglia C, Milanesi L.

Brief Bioinform. 2011 Nov;12(6):588-600. doi: 10.1093/bib/bbr062. Epub 2011 Oct 22.

20.

Image-based surface matching algorithm oriented to structural biology.

Merelli I, Cozzi P, D'Agostino D, Clematis A, Milanesi L.

IEEE/ACM Trans Comput Biol Bioinform. 2011 Jul-Aug;8(4):1004-16. doi: 10.1109/TCBB.2010.21.

PMID:
21566253
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