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Journal of Biomolecular Structure and Dynamics Volume 35, 2017 - Issue 9
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Research Articles

Scrutiny of chain-length and N-terminal effects in α-helix folding: a molecular dynamics study on polyalanine peptides

Bhupesh GoyalDepartment of Chemistry, Indian Institute of Technology Bombay, Mumbai400076, India;Department of Chemistry, School of Basic and Applied Sciences, Sri Guru Granth Sahib World University, Fatehgarh Sahib140406, Punjab, IndiaCorrespondence[email protected]
,
Anil KumarDepartment of Chemistry, Indian Institute of Technology Bombay, Mumbai400076, India;Department of Chemistry, University of Toronto, Toronto, ONM5S 3H6, Canada
,
Kinshuk Raj SrivastavaDepartment of Chemistry, Indian Institute of Technology Bombay, Mumbai400076, India;Department of Physics and Astronomy, Michigan State University, East Lansing, MI48824, USA
&
Susheel DuraniDepartment of Chemistry, Indian Institute of Technology Bombay, Mumbai400076, India
Pages 1923-1935 | Received 22 Feb 2016, Accepted 07 Jun 2016, Published online: 06 Jul 2016

Citations (8)

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Suniba Shuaib & Bhupesh Goyal. (2018) Scrutiny of the mechanism of small molecule inhibitor preventing conformational transition of amyloid-β42 monomer: insights from molecular dynamics simulations. Journal of Biomolecular Structure and Dynamics 36:3, pages 663-678.
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Articles from other publishers (7)

Eric Fagerberg, Linda K. Månsson, Samuel Lenton & Marie Skepö. (2020) The Effects of Chain Length on the Structural Properties of Intrinsically Disordered Proteins in Concentrated Solutions. The Journal of Physical Chemistry B 124:52, pages 11843-11853.
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Simranjeet Singh Narang, Deepti Goyal & Bhupesh Goyal. (2019) Molecular insights into the inhibitory mechanism of bi-functional bis-tryptoline triazole against β-secretase (BACE1) enzyme. Amino Acids 51:10-12, pages 1593-1607.
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Emily B. Martin, Angela Williams, Tina Richey, Craig Wooliver, Alan Stuckey, James S. Foster, Stephen J. Kennel & Jonathan S. Wall. (2017) Evaluation of the effect of d-amino acid incorporation into amyloid-reactive peptides. Journal of Translational Medicine 15:1.
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Rajneet Kaur Saini, Suniba Shuaib & Bhupesh Goyal. (2017) Molecular insights into Aβ 42 protofibril destabilization with a fluorinated compound D744: A molecular dynamics simulation study . Journal of Molecular Recognition 30:12, pages e2656.
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Bhupesh Goyal, Kinshuk Raj Srivastava & Susheel Durani. (2017) N‐terminal diproline and charge group effects on the stabilization of helical conformation in alanine‐based short peptides: CD studies with water and methanol as solvent. Journal of Peptide Science 23:6, pages 431-437.
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Deepti Goyal, Suniba Shuaib, Sukhmani Mann & Bhupesh Goyal. (2017) Rationally Designed Peptides and Peptidomimetics as Inhibitors of Amyloid-β (Aβ) Aggregation: Potential Therapeutics of Alzheimer’s Disease. ACS Combinatorial Science 19:2, pages 55-80.
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Bhupesh Goyal, Kinshuk Raj Srivastava & Susheel Durani. (2016) Examination of the Effect of N‐terminal Diproline and Charged Side Chains on the Stabilization of Helical Conformation in Alanine–based Short Peptides: A Molecular Dynamics Study. ChemistrySelect 1:19, pages 6321-6327.
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