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Biophysical Chemistry|July 13, 2024
Probing the energy landscape of the lipid interactions of the serotonin1A receptorMadhura Mohole, Amit Naglekar, Durba Sengupta, et al.Chemistry and Physics of Lipids|September 24, 2017
Membrane-induced organization and dynamics of the N-terminal domain of chemokine receptor CXCR1: insights from atomistic simulationsShalmali Kharche, Manali Joshi, Durba Sengupta, et al.The Journal of Physical Chemistry. B|April 25, 2018
Exploring GPCR-Lipid Interactions by Molecular Dynamics Simulations: Excitements, Challenges, and the Way ForwardDurba Sengupta, Xavier Prasanna, Madhura Mohole, et al.Journal of Molecular Graphics & Modelling|December 22, 2024
Benchmarking a dual-scale hybrid simulation framework for small globular proteins combining the CHARMM36 and Martini2 modelsManjul Yadav, Shalmali Kharche, Shikha Prakash, et al.Methods in Molecular Biology (Clifton, N.J.)|July 10, 2024
Assessing Protein-Protein Docking Protocols: Case Studies of G-Protein-Coupled Receptor InteractionsArchana Sonawani, Amit Naglekar, Shalmali Kharche, et al.Plos Computational Biology|May 20, 2021
Conformational plasticity and dynamic interactions of the N-terminal domain of the chemokine receptor CXCR1Shalmali Kharche, Manali Joshi, Amitabha Chattopadhyay, et al.Plos Computational Biology|December 16, 2014
Molecular insights into the dynamics of pharmacogenetically important N-terminal variants of the human β2-adrenergic receptorGanesh Shahane, Chirag Parsania, Durba Sengupta, et al.Iscience|July 14, 2023
Wavelet coherence phase analysis decodes the universal switching mechanism of Ras GTPase superfamilyZenia Motiwala, Anand S Sandholu, Durba Sengupta, et al.Methods in Cell Biology|March 2, 2016
What can simulations tell us about GPCRs: Integrating the scalesDurba Sengupta, Manali Joshi, Chaitanya A Athale, et al.Biochemical and Biophysical Research Communications|January 2, 2021
Dynamic coupling analysis on plant sesquiterpene synthases provides leads for the identification of product specificity determinantsSneha Singh, Hirekodathakallu V Thulasiram, Durba Sengupta, et al.Pageof 9