Format
Sort by
Items per page

Send to

Choose Destination

Search results

Items: 11

1.

Supervised Molecular Dynamics (SuMD) Approaches in Drug Design.

Sabbadin D, Salmaso V, Sturlese M, Moro S.

Methods Mol Biol. 2018;1824:287-298. doi: 10.1007/978-1-4939-8630-9_17.

PMID:
30039414
2.

Could Adenosine Recognize its Receptors with a Stoichiometry Other than 1 : 1?

Deganutti G, Salmaso V, Moro S.

Mol Inform. 2018 Apr 19. doi: 10.1002/minf.201800009. [Epub ahead of print]

PMID:
29673107
3.

AquaMMapS: An Alternative Tool to Monitor the Role of Water Molecules During Protein-Ligand Association.

Cuzzolin A, Deganutti G, Salmaso V, Sturlese M, Moro S.

ChemMedChem. 2018 Mar 20;13(6):522-531. doi: 10.1002/cmdc.201700564. Epub 2018 Jan 25.

PMID:
29193885
4.

Sulfonamido-derivatives of unsubstituted carbazoles as BACE1 inhibitors.

Bertini S, Ghilardi E, Asso V, Minutolo F, Rapposelli S, Digiacomo M, Saccomanni G, Salmaso V, Sturlese M, Moro S, Macchia M, Manera C.

Bioorg Med Chem Lett. 2017 Nov 1;27(21):4812-4816. doi: 10.1016/j.bmcl.2017.09.058. Epub 2017 Sep 28.

PMID:
28993050
5.

Combining self- and cross-docking as benchmark tools: the performance of DockBench in the D3R Grand Challenge 2.

Salmaso V, Sturlese M, Cuzzolin A, Moro S.

J Comput Aided Mol Des. 2018 Jan;32(1):251-264. doi: 10.1007/s10822-017-0051-4. Epub 2017 Aug 24.

PMID:
28840418
6.

Exploring Protein-Peptide Recognition Pathways Using a Supervised Molecular Dynamics Approach.

Salmaso V, Sturlese M, Cuzzolin A, Moro S.

Structure. 2017 Apr 4;25(4):655-662.e2. doi: 10.1016/j.str.2017.02.009. Epub 2017 Mar 16.

7.

The role of 5-arylalkylamino- and 5-piperazino- moieties on the 7-aminopyrazolo[4,3-d]pyrimidine core in affecting adenosine A1 and A2A receptor affinity and selectivity profiles.

Squarcialupi L, Betti M, Catarzi D, Varano F, Falsini M, Ravani A, Pasquini S, Vincenzi F, Salmaso V, Sturlese M, Varani K, Moro S, Colotta V.

J Enzyme Inhib Med Chem. 2017 Dec;32(1):248-263. doi: 10.1080/14756366.2016.1247060.

8.

Synthesis, structure-activity relationships and biological evaluation of 7-phenyl-pyrroloquinolinone 3-amide derivatives as potent antimitotic agents.

Carta D, Bortolozzi R, Sturlese M, Salmaso V, Hamel E, Basso G, Calderan L, Quintieri L, Moro S, Viola G, Ferlin MG.

Eur J Med Chem. 2017 Feb 15;127:643-660. doi: 10.1016/j.ejmech.2016.10.026. Epub 2016 Oct 21.

9.

DockBench as docking selector tool: the lesson learned from D3R Grand Challenge 2015.

Salmaso V, Sturlese M, Cuzzolin A, Moro S.

J Comput Aided Mol Des. 2016 Sep;30(9):773-789. Epub 2016 Sep 16.

PMID:
27638810
10.

New Trends in Inspecting GPCR-ligand Recognition Process: the Contribution of the Molecular Modeling Section (MMS) at the University of Padova.

Ciancetta A, Cuzzolin A, Deganutti G, Sturlese M, Salmaso V, Cristiani A, Sabbadin D, Moro S.

Mol Inform. 2016 Sep;35(8-9):440-8. doi: 10.1002/minf.201501011. Epub 2016 Jul 19. Review.

PMID:
27546048
11.

Deciphering the Complexity of Ligand-Protein Recognition Pathways Using Supervised Molecular Dynamics (SuMD) Simulations.

Cuzzolin A, Sturlese M, Deganutti G, Salmaso V, Sabbadin D, Ciancetta A, Moro S.

J Chem Inf Model. 2016 Apr 25;56(4):687-705. doi: 10.1021/acs.jcim.5b00702. Epub 2016 Apr 14.

PMID:
27019343

Supplemental Content

Loading ...
Support Center