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Future Medicinal Chemistry|March 24, 2011
Computational insights into the development of novel therapeutic strategies for Alzheimer's diseaseRajeev PrabhakarScientifica|October 14, 2014
Computational Insights into Substrate and Site Specificities, Catalytic Mechanism, and Protonation States of the Catalytic Asp Dyad of β -SecretaseArghya Barman, Rajeev PrabhakarJournal of Molecular Graphics & Modelling|January 23, 2013
Elucidating the catalytic mechanism of β-secretase (BACE1): a quantum mechanics/molecular mechanics (QM/MM) approachArghya Barman, Rajeev PrabhakarJournal of Chemical Information and Modeling|May 2, 2012
Protonation states of the catalytic dyad of β-secretase (BACE1) in the presence of chemically diverse inhibitors: a molecular docking studyArghya Barman, Rajeev PrabhakarBiochemistry|April 13, 2010
Elucidation of interactions of Alzheimer amyloid beta peptides (Abeta40 and Abeta42) with insulin degrading enzyme: a molecular dynamics studyRam Prasad Bora, Rajeev PrabhakarThe Journal of Chemical Physics|June 24, 2010
Translational, rotational and internal dynamics of amyloid beta-peptides (Abeta40 and Abeta42) from molecular dynamics simulationsRam Prasad Bora, Rajeev PrabhakarBiochemistry|April 20, 2011
Computational modeling of substrate specificity and catalysis of the β-secretase (BACE1) enzymeArghya Barman, Stephan Schürer, Rajeev PrabhakarThe Journal of Physical Chemistry. B|August 27, 2009
Computational insights into aspartyl protease activity of presenilin 1 (PS1) generating Alzheimer amyloid beta-peptides (Abeta40 and Abeta42)Rajiv Singh, Arghya Barman, Rajeev PrabhakarThe Journal of Physical Chemistry. B|January 29, 2008
Molecular dynamics study to investigate the effect of chemical substitutions of methionine 35 on the secondary structure of the amyloid beta (Abeta(1-42)) monomer in aqueous solutionLuciano Triguero, Rajiv Singh, Rajeev PrabhakarThe Journal of Physical Chemistry. B|April 10, 2014
Mechanistic insights into metal (Pd2+, Co2+, and Zn2+)-β-cyclodextrin catalyzed peptide hydrolysis: a QM/MM approachTingting Zhang, Xiaoxia Zhu, Rajeev PrabhakarPageof 9