Position-specific propensities of amino acids in the β-strand N Bhattacharjee, P Biswas BMC structural biology 10, 1-10, 2010 | 50 | 2010 |
Structure of hydration water in proteins: a comparison of molecular dynamics simulations and database analysis N Bhattacharjee, P Biswas Biophysical Chemistry 158 (1), 73-80, 2011 | 38 | 2011 |
Weak backbone CH⋯ O [double bond, length as m-dash] C and side chain t Bu⋯ t Bu London interactions help promote helix folding of achiral N t Bu peptoids G Angelici, N Bhattacharjee, O Roy, S Faure, C Didierjean, L Jouffret, ... Chemical communications 52 (24), 4573-4576, 2016 | 37 | 2016 |
Interplay between lipid lateral diffusion, dye concentration and membrane permeability unveiled by a combined spectroscopic and computational study of a model lipid bilayer M Jan Akhunzada, F D’Autilia, B Chandramouli, N Bhattacharjee, A Catte, ... Scientific Reports 9 (1), 1508, 2019 | 35 | 2019 |
The role of Tat peptide self-aggregation in membrane pore stabilization: insights from a computational study MJ Akhunzada, B Chandramouli, N Bhattacharjee, S Macchi, F Cardarelli, ... Physical Chemistry Chemical Physics 19 (40), 27603-27610, 2017 | 16 | 2017 |
Enabling Racemization of Axially Chiral Subphthalocyanine–Tetracyanobutadiene–Aniline Enantiomers by Triplet State Photogeneration G Lavarda, N Bhattacharjee, G Brancato, T Torres, G Bottari Angewandte Chemie International Edition, 2020 | 15 | 2020 |
Exploring the Conformation of Mixed Cis–Trans α,β-Oligopeptoids: A Joint Experimental and Computational Study G Dumonteil, N Bhattacharjee, G Angelici, O Roy, S Faure, L Jouffret, ... The Journal of Organic Chemistry 83 (12), 6382-6396, 2018 | 15 | 2018 |
Capturing molten globule state of α-lactalbumin through constant pH molecular dynamics simulations N Bhattacharjee, P Rani, P Biswas The Journal of Chemical Physics 138 (9), 2013 | 15 | 2013 |
Structural patterns in α helices and β sheets in globular proteins N Bhattacharjee, P Biswas Protein and Peptide Letters 16 (8), 953-960, 2009 | 12 | 2009 |
Statistical analysis and molecular dynamics simulations of ambivalent α -helices N Bhattacharjee, P Biswas BMC bioinformatics 11, 1-10, 2010 | 11 | 2010 |
Local order and mobility of water molecules around ambivalent helices N Bhattacharjee, P Biswas The Journal of Physical Chemistry B 115 (42), 12257-12265, 2011 | 10 | 2011 |
Negative impact of carbapenem methylation on the reactivity of β-lactams for cysteine acylation as revealed by quantum calculations and kinetic analyses N Bhattacharjee, S Triboulet, V Dubée, M Fonvielle, Z Edoo, JE Hugonnet, ... Antimicrobial agents and chemotherapy 63 (4), 10.1128/aac. 02039-18, 2019 | 9 | 2019 |
Are ambivalent α-helices entropically driven? N Bhattacharjee, P Biswas Protein Engineering, Design & Selection 25 (2), 73-79, 2012 | 9 | 2012 |
Norovirus RNA‐dependent RNA polymerase: A computational study of metal‐binding preferences MM Shaik, N Bhattacharjee, M Feliks, KKS Ng, MJ Field Proteins: Structure, Function, and Bioinformatics 85 (8), 1435-1445, 2017 | 8 | 2017 |
Temperature dependence of the structure and dynamics of a dye-labeled lipid in a planar phospholipid bilayer: A computational study MJ Akhunzada, L Sagresti, A Catte, N Bhattacharjee, T D’Agostino, ... The Journal of membrane biology 252 (4), 227-240, 2019 | 7 | 2019 |
Hybrid Potential Simulation of the Acylation of Enterococcus faecium l,d-Transpeptidase by Carbapenems N Bhattacharjee, MJ Field, JP Simorre, M Arthur, CM Bougault The Journal of Physical Chemistry B 120 (21), 4767-4781, 2016 | 6 | 2016 |
Helical ambivalency induced by point mutations N Bhattacharjee, P Biswas BMC Structural Biology 13, 1-11, 2013 | 6 | 2013 |
Enzyme immobilization studied through molecular dynamic simulations N Bhattacharjee, L Alonso-Cotchico, MF Lucas Frontiers in Bioengineering and Biotechnology 11, 1200293, 2023 | 5 | 2023 |
Catalytic mechanism of peptidoglycan deacetylase: A computational study N Bhattacharjee, M Feliks, MM Shaik, MJ Field The Journal of Physical Chemistry B 121 (1), 89-99, 2017 | 5 | 2017 |
Characterization of the divalent metal binding site of bacterial polysaccharide deacetylase using crystallography and quantum chemical calculations M Munan Shaik, N Bhattacharjee, A Bhattacharjee, MJ Field, G Zanotti Proteins: Structure, Function, and Bioinformatics 82 (7), 1311-1318, 2014 | 3 | 2014 |