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Durba Sengupta
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Year
Polarizable water model for the coarse-grained MARTINI force field
SO Yesylevskyy, LV Schäfer, D Sengupta, SJ Marrink
PLoS computational biology 6 (6), e1000810, 2010
9052010
Toroidal pores formed by antimicrobial peptides show significant disorder
D Sengupta, H Leontiadou, AE Mark, SJ Marrink
Biochimica et Biophysica Acta (BBA)-Biomembranes 1778 (10), 2308-2317, 2008
6432008
Cholesterol modulates the dimer interface of the β2-adrenergic receptor via cholesterol occupancy sites
X Prasanna, A Chattopadhyay, D Sengupta
Biophysical journal 106 (6), 1290-1300, 2014
1662014
Sphere-to-rod transitions of nonionic surfactant micelles in aqueous solution modeled by molecular dynamics simulations
M Velinova, D Sengupta, AV Tadjer, SJ Marrink
Langmuir 27 (23), 14071-14077, 2011
1642011
Membrane poration by antimicrobial peptides combining atomistic and coarse-grained descriptions
AJ Rzepiela, D Sengupta, N Goga, SJ Marrink
Faraday discussions 144, 431-443, 2010
1522010
Molecular dynamics simulations of GPCR–cholesterol interaction: An emerging paradigm
D Sengupta, A Chattopadhyay
Biochimica et Biophysica Acta (BBA)-Biomembranes 1848 (9), 1775-1782, 2015
1452015
Identification of Cholesterol Binding Sites in the Serotonin1A Receptor
D Sengupta, A Chattopadhyay
The journal of physical chemistry B 116 (43), 12991-12996, 2012
1352012
Lipid-mediated interactions tune the association of glycophorin A helix and its disruptive mutants in membranes
D Sengupta, SJ Marrink
Physical Chemistry Chemical Physics 12 (40), 12987-12996, 2010
1262010
The α helix dipole: screened out?
D Sengupta, RN Behera, JC Smith, GM Ullmann
Structure 13 (6), 849-855, 2005
1192005
High-throughput simulations of dimer and trimer assembly of membrane proteins. The DAFT approach
TA Wassenaar, K Pluhackova, A Moussatova, D Sengupta, SJ Marrink, ...
Journal of chemical theory and computation 11 (5), 2278-2291, 2015
1132015
In silico modelling of drug–polymer interactions for pharmaceutical formulations
S Ahmad, BF Johnston, SP Mackay, AG Schatzlein, P Gellert, D Sengupta, ...
Journal of the Royal Society Interface 7 (suppl_4), S423-S433, 2010
1052010
The structural basis for peptide selection by the transport receptor OppA
RPA Berntsson, MK Doeven, F Fusetti, RH Duurkens, D Sengupta, ...
The EMBO journal 28 (9), 1332-1340, 2009
1022009
Structure of spheroidal HDL particles revealed by combined atomistic and coarse-grained simulations
A Catte, JC Patterson, D Bashtovyy, MK Jones, F Gu, L Li, A Rampioni, ...
Biophysical journal 94 (6), 2306-2319, 2008
1002008
The molecular basis for antimicrobial activity of pore-forming cyclic peptides
AD Cirac, G Moiset, JT Mika, A Koçer, P Salvador, B Poolman, SJ Marrink, ...
Biophysical journal 100 (10), 2422-2431, 2011
902011
Cholesterol-dependent conformational plasticity in GPCR dimers
X Prasanna, D Sengupta, A Chattopadhyay
Scientific reports 6 (1), 31858, 2016
832016
Structural basis for the enhanced activity of cyclic antimicrobial peptides: the case of BPC194
JT Mika, G Moiset, AD Cirac, L Feliu, E Bardají, M Planas, D Sengupta, ...
Biochimica et Biophysica Acta (BBA)-Biomembranes 1808 (9), 2197-2205, 2011
742011
Exploring GPCR–lipid interactions by molecular dynamics simulations: excitements, challenges, and the way forward
D Sengupta, X Prasanna, M Mohole, A Chattopadhyay
The Journal of Physical Chemistry B 122 (22), 5727-5737, 2018
702018
Molecular modeling of the human serotonin 1A receptor: role of membrane cholesterol in ligand binding of the receptor
YD Paila, S Tiwari, D Sengupta, A Chattopadhyay
Molecular BioSystems 7 (1), 224-234, 2011
692011
Interplay between membrane curvature and cholesterol: Role of palmitoylated caveolin-1
A Krishna, D Sengupta
Biophysical journal 116 (1), 69-78, 2019
632019
The ganglioside GM1 interacts with the serotonin1A receptor via the sphingolipid binding domain
X Prasanna, M Jafurulla, D Sengupta, A Chattopadhyay
Biochimica et Biophysica Acta (BBA)-Biomembranes 1858 (11), 2818-2826, 2016
602016
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