| 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 | 968 | 2010 |
| 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 | 685 | 2008 |
| 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 | 174 | 2014 |
| 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 | 171 | 2011 |
| 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 | 154 | 2010 |
| 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 | 153 | 2015 |
| Identification of Cholesterol Binding Sites in the Serotonin1A Receptor D Sengupta, A Chattopadhyay The journal of physical chemistry B 116 (43), 12991-12996, 2012 | 147 | 2012 |
| 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 | 128 | 2010 |
| 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 | 122 | 2015 |
| The α helix dipole: screened out? D Sengupta, RN Behera, JC Smith, GM Ullmann Structure 13 (6), 849-855, 2005 | 121 | 2005 |
| 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 | 113 | 2010 |
| 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 | 107 | 2009 |
| 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 | 102 | 2008 |
| 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 | 91 | 2011 |
| Cholesterol-dependent conformational plasticity in GPCR dimers X Prasanna, D Sengupta, A Chattopadhyay Scientific reports 6 (1), 31858, 2016 | 89 | 2016 |
| 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 | 77 | 2018 |
| 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 | 77 | 2011 |
| 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 | 72 | 2011 |
| Interplay between membrane curvature and cholesterol: Role of palmitoylated caveolin-1 A Krishna, D Sengupta Biophysical journal 116 (1), 69-78, 2019 | 71 | 2019 |
| 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 | 64 | 2016 |
