Insights into the dynamic interactions at chemokine-receptor interfaces and mechanistic models of chemokine binding

Autor: Sonawani, Archana, Kharche, Shalmali, Dasgupta, Debjani, Sengupta, Durba

Publikováno v: In Journal of Structural Biology September 2022 214(3)

Dynamic protein interfaces and conformational landscapes of membrane protein complexes

Autor: Kharche, Shalmali A, Sengupta, Durba

Publikováno v: In Current Opinion in Structural Biology April 2020 61:191-197

Membrane-induced organization and dynamics of the N-terminal domain of chemokine receptor CXCR1: insights from atomistic simulations

Autor: Kharche, Shalmali, Joshi, Manali, Sengupta, Durba, Chattopadhyay, Amitabha

Publikováno v: In Chemistry and Physics of Lipids January 2018 210:142-148

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Benchmarking a dual-scale hybrid simulation framework for small globular proteins combining the CHARMM36 and Martini2 models.

Autor: Yadav M; CSIR-National Chemical Laboratory, Dr. Homi Bhabha Road, Pune 411008, India., Kharche S; CSIR-National Chemical Laboratory, Dr. Homi Bhabha Road, Pune 411008, India. Electronic address: sa.kharche@ncl.res.in., Prakash S; CSIR-National Chemical Laboratory, Dr. Homi Bhabha Road, Pune 411008, India., Sengupta D; CSIR-National Chemical Laboratory, Dr. Homi Bhabha Road, Pune 411008, India; Academy of Scientific and Innovative Research (AcSIR), Ghaziabad, 201 002, India. Electronic address: d.sengupta@ncl.res.in.

Publikováno v: Journal of molecular graphics & modelling [J Mol Graph Model] 2024 Dec 17; Vol. 135, pp. 108926. Date of Electronic Publication: 2024 Dec 17.