Bhaskar Dasgupta
Bhaskar Dasgupta
Osaka University, Japan OR Center for Computational Science, RIKEN, Kobe OR Bose Institute, India
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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
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
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
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
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
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
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
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
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
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
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
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
Water and side‐chain embedded π‐turns
B Dasgupta, S Dey, P Chakrabarti
Biopolymers 101 (5), 441-453, 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
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
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
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
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
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
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
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