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Results: 7

1.

How maltose influences structural changes to bind to maltose-binding protein: results from umbrella sampling simulation.

Mascarenhas NM, Kästner J.

Proteins. 2013 Feb;81(2):185-98. doi: 10.1002/prot.24174. Epub 2012 Sep 29.

PMID:
22933379
[PubMed - indexed for MEDLINE]
2.

Are different stoichiometries feasible for complexes between lymphotoxin-alpha and tumor necrosis factor receptor 1?

Mascarenhas NM, Kästner J.

BMC Struct Biol. 2012 May 8;12:8. doi: 10.1186/1472-6807-12-8.

PMID:
22568977
[PubMed - indexed for MEDLINE]
Free PMC Article
3.

Cysteine-3 and cysteine-4 are essential for the thioredoxin-like oxidoreductase and antioxidant activities of Plasmodium falciparum macrophage migration inhibitory factor.

Alam A, Goyal M, Iqbal MS, Bindu S, Dey S, Pal C, Maity P, Mascarenhas NM, Ghoshal N, Bandyopadhyay U.

Free Radic Biol Med. 2011 Jun 1;50(11):1659-68. doi: 10.1016/j.freeradbiomed.2011.03.012. Epub 2011 Mar 13.

PMID:
21406224
[PubMed - indexed for MEDLINE]
4.

Why pyridine containing pyrido[2,3-d]pyrimidin-7-ones selectively inhibit CDK4 than CDK2: insights from molecular dynamics simulation.

Mascarenhas NM, Bhattacharyya D, Ghoshal N.

J Mol Graph Model. 2010 Apr;28(7):695-706. doi: 10.1016/j.jmgm.2010.01.008. Epub 2010 Jan 25.

PMID:
20153225
[PubMed - indexed for MEDLINE]
5.

Hybrid structure-based virtual screening protocol for the identification of novel BACE1 inhibitors.

Vijayan RS, Prabu M, Mascarenhas NM, Ghoshal N.

J Chem Inf Model. 2009 Mar;49(3):647-57. doi: 10.1021/ci800386v.

PMID:
19434899
[PubMed - indexed for MEDLINE]
6.

Combined ligand and structure based approaches for narrowing on the essential physicochemical characteristics for CDK4 inhibition.

Mascarenhas NM, Ghoshal N.

J Chem Inf Model. 2008 Jul;48(7):1325-36. doi: 10.1021/ci8000343. Epub 2008 Jun 20.

PMID:
18564835
[PubMed - indexed for MEDLINE]
7.

An efficient tool for identifying inhibitors based on 3D-QSAR and docking using feature-shape pharmacophore of biologically active conformation--a case study with CDK2/cyclinA.

Mascarenhas NM, Ghoshal N.

Eur J Med Chem. 2008 Dec;43(12):2807-18. Epub 2007 Oct 22.

PMID:
18037537
[PubMed - indexed for MEDLINE]
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