G
Gurpreet Singh
Researcher at University of Calgary
Publications - 22
Citations - 1709
Gurpreet Singh is an academic researcher from University of Calgary. The author has contributed to research in topics: Potential of mean force & ATP-binding cassette transporter. The author has an hindex of 13, co-authored 22 publications receiving 1326 citations. Previous affiliations of Gurpreet Singh include Technical University of Dortmund & Alberta Children's Hospital.
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Journal ArticleDOI
Improved Parameters for the Martini Coarse-Grained Protein Force Field
Djurre H. de Jong,Gurpreet Singh,W. F. Drew Bennett,Clement Arnarez,Tsjerk A. Wassenaar,Lars V. Schäfer,Xavier Periole,D. Peter Tieleman,Siewert J. Marrink +8 more
TL;DR: Improve some of the bonded terms in the Martini protein force field that lead to a more realistic length of α-helices and to improved numerical stability for polyalanine and glycine repeats.
Journal ArticleDOI
Lipid–Protein Interactions Are Unique Fingerprints for Membrane Proteins
Valentina Corradi,Eduardo Mendez-Villuendas,Helgi I. Ingólfsson,Ruo-Xu Gu,Iwona Siuda,Manuel N. Melo,Anastassiia Moussatova,Lucien J. DeGagné,Besian I. Sejdiu,Gurpreet Singh,Tsjerk A. Wassenaar,Karelia Hortencia Delgado Magnero,Siewert J. Marrink,D. Peter Tieleman +13 more
TL;DR: This work uses molecular dynamics simulations to characterize the lipid environment of 10 different membrane proteins, embedded in a model plasma membrane, where more than 60 lipid species are represented, asymmetrically distributed between the leaflets.
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Interactions of key charged residues contributing to selective block of neuronal sodium channels by μ-conotoxin KIIIA.
Jeffrey R. McArthur,Gurpreet Singh,Denis McMaster,R. Winkfein,D. P. Tieleman,Robert J. French +5 more
TL;DR: KIIIA is the first μ-conotoxin to show enhanced activity as pH is lowered, apparently resulting from titration of the free N terminus, and may facilitate further development of subtype-specific, sodium channel blockers to treat hyperexcitability disorders.
Journal ArticleDOI
Using the Wimley-White Hydrophobicity Scale as a Direct Quantitative Test of Force Fields: The MARTINI Coarse-Grained Model.
Gurpreet Singh,D. Peter Tieleman +1 more
TL;DR: The partitioning free energies of side chains of amino acids are measured using alchemical simulations and umbrella sampling to gain insight into the most efficient method and the degree of sampling required to obtain statistically accurate free energies for use with atomistic force fields in future work.
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Peptide Aggregation in Finite Systems
TL;DR: The finite size of biological cells or their compartments may be playing a decisive role in hampering intracellular aggregation of highly insoluble amyloidogenic proteins, whereas aggregation is unavoidable in the extracellular space at the same peptide concentration.