| Expanded turn conformations: Characterization and sequence‐structure correspondence in α‐turns with implications in helix folding B Dasgupta, L Pal, G Basu, P Chakrabarti Proteins: Structure, Function, and Bioinformatics 55 (2), 305-315, 2004 | 39 | 2004 |
| Virtual‐system‐coupled adaptive umbrella sampling to compute free‐energy landscape for flexible molecular docking J Higo, B Dasgupta, T Mashimo, K Kasahara, Y Fukunishi, H Nakamura Journal of computational chemistry 36 (20), 1489-1501, 2015 | 30 | 2015 |
| 310‐Helix adjoining α‐helix and β‐strand: Sequence and structural features and their conservation L Pal, B Dasgupta, P Chakrabarti Biopolymers: Original Research on Biomolecules 78 (3), 147-162, 2005 | 29 | 2005 |
| Enhanced stability of cis Pro-Pro peptide bond in Pro-Pro-Phe sequence motif B Dasgupta, P Chakrabarti, G Basu FEBS letters 581 (23), 4529-4532, 2007 | 28 | 2007 |
| myPresto/omegagene: a GPU-accelerated molecular dynamics simulator tailored for enhanced conformational sampling methods with a non-Ewald electrostatic scheme K Kasahara, B Ma, K Goto, B Dasgupta, J Higo, I Fukuda, T Mashimo, ... Biophysics and physicobiology 13, 209-216, 2016 | 22 | 2016 |
| pi-Turns: types, systematics and the context of their occurrence in protein structures B Dasgupta, P Chakrabarti BMC structural biology 8 (1), 1-14, 2008 | 16 | 2008 |
| Distinct roles of overlapping and non-overlapping regions of hub protein interfaces in recognition of multiple partners B Dasgupta, H Nakamura, AR Kinjo Journal of molecular biology 411 (3), 713-727, 2011 | 15 | 2011 |
| Flexible binding simulation by a novel and improved version of virtual-system coupled adaptive umbrella sampling B Dasgupta, H Nakamura, J Higo Chemical Physics Letters 662, 327-332, 2016 | 14 | 2016 |
| Enhancement of canonical sampling by virtual-state transitions J Higo, K Kasahara, B Dasgupta, H Nakamura The Journal of chemical physics 146 (4), 044104, 2017 | 13 | 2017 |
| Free-energy landscape of molecular interactions between endothelin 1 and human endothelin type B receptor: fly-casting mechanism J Higo, K Kasahara, M Wada, B Dasgupta, N Kamiya, T Hayami, I Fukuda, ... Protein Engineering, Design and Selection 32 (7), 297-308, 2019 | 10 | 2019 |
| Reconstruction of low-resolution molecular structures from simulated atomic force microscopy images B Dasgupta, O Miyashita, F Tama Biochimica et Biophysica Acta (BBA)-General Subjects 1864 (2), 129420, 2020 | 6 | 2020 |
| Faster Binding Free-Energy Landscape Calculation by Virtual-State Coupled Adaptive Umbrella Sampling B Dasgupta, H Junichi, H Nakamura Biophysical Journal 110 (3), 55a, 2016 | 6 | 2016 |
| Water and side‐chain embedded π‐turns B Dasgupta, S Dey, P Chakrabarti Biopolymers 101 (5), 441-453, 2014 | 5 | 2014 |
| Counterbalance of ligand‐and self‐coupled motions characterizes multispecificity of ubiquitin B Dasgupta, H Nakamura, AR Kinjo Protein Science 22 (2), 168-178, 2013 | 5 | 2013 |
| Rigid‐body motions of interacting proteins dominate multispecific binding of ubiquitin in a shape‐dependent manner B Dasgupta, H Nakamura, AR Kinjo Proteins: Structure, Function, and Bioinformatics 82 (1), 77-89, 2014 | 4 | 2014 |
| Specific Non-Local Interactions Are Not Necessary for Recovering Native Protein Dynamics B Dasgupta, K Kasahara, N Kamiya, H Nakamura, AR Kinjo PloS one 9 (3), e91347, 2014 | 1 | 2014 |
| Virtual system Coupled Adaptive Umbrella Sampling: An efficient method to compute potential of mean force along a reaction-coordinate B Dasgupta サイバーメディア HPC ジャーナル 6, 7-11, 2016 | | 2016 |
| 2P063 Contact number diffusion model for the normal mode analysis of protein structure (01C. Protein: Property, Poster, The 52nd Annual Meeting of the Biophysical Society of … B Dasgupta, K Kasahara, N Kamiya, H Nakamura, A Kinjo Seibutsu Butsuri 54 (supplement1-2), S205, 2014 | | 2014 |
| 2B1436 A multi-body potential for normal mode analysis of protein structure (Proteins: Structure & Function II: Theory, Aggregation, Oral Presentation, The 50th Annual Meeting … B Dasgupta, N Kamiya, H Nakamura, A Kinjo Seibutsu Butsuri 52 (supplement), S40, 2012 | | 2012 |
| 3G1024 Ligand-dependent conformational changes of the promiscuous protein: A case for Ubiquitin (3G Protein: Structure 3, The 49th Annual Meeting of the Biophysical Society of … B Dasgupta, A Kinjo, H Nakamura Seibutsu Butsuri 51 (supplement), S129, 2011 | | 2011 |
Nakamura Haruki大阪大学蛋白質研究所Verified email at protein.osaka-u.ac.jp
