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Rituparna Samanta
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Year
Influence of protein charge patches on the structure of protein–polyelectrolyte complexes
R Samanta, V Ganesan
Soft Matter 14 (46), 9475-9488, 2018
242018
Impact of AlphaFold on Structure Prediction of Protein Complexes: The CASP15-CAPRI Experiment
MF Lensink, G Brysbaert, N Raouraoua, PA Bates, M Giulini, RV Honorato, ...
Proteins:Structure, Function, Bioinformatics, 2023
162023
Ensuring scientific reproducibility in bio-macromolecular modeling via extensive, automated benchmarks
J Koehler Leman, S Lyskov, SM Lewis, J Adolf-Bryfogle, RF Alford, ...
Nature communications 12 (1), 6947, 2021
152021
Influence of charge regulation and charge heterogeneity on complexation between polyelectrolytes and proteins
R Samanta, A Halabe, V Ganesan
The Journal of Physical Chemistry B 124 (22), 4421-4435, 2020
142020
Influence of dielectric inhomogeneities on the structure of charged nanoparticles in neutral polymer solutions
R Samanta, V Ganesan
Soft Matter 14 (19), 3748-3759, 2018
102018
Influence of pore morphology on the diffusion of water in triblock copolymer membranes
D Aryal, MP Howard, R Samanta, S Antoine, R Segalman, TM Truskett, ...
The Journal of Chemical Physics 152 (1), 2020
92020
Direct simulations of phase behavior of mixtures of oppositely charged proteins/nanoparticles and polyelectrolytes
R Samanta, V Ganesan
The Journal of Physical Chemistry B 124 (48), 10943-10951, 2020
72020
Diverse Scientific Benchmarks for Implicit Membrane Energy Functions
RF Alford, S Rituparna, JJ Gray
J. Chem. Theory Comput. 17 (8), 5248-5261, 2021
32021
Influence of charge regulation and charge heterogeneity on complexation between weak polyelectrolytes and weak proteins near isoelectric point
R Samanta, V Ganesan
Macromolecular Theory and Simulations 30 (1), 2000054, 2021
22021
Implicit model to capture electrostatic features of membrane environment
R Samanta, JJ Gray
PLOS Computational Biology 20 (1), e1011296, 2024
12024
ProteinMPNN Recovers Complex Sequence Properties of Transmembrane β-barrels
M Dolorfino, R Samanta, A Vorobieva
bioRxiv, 2024.01. 16.575764, 2024
2024
Implicit Heuristic Model Captures Electrostatic Features of Cell Membrane Environment
R Samanta, JJ Gray
2022 AIChE Annual Meeting, 2022
2022
Computational Methods to Engineer Proteins for Health and Environmental Applications
R Samanta
2022 AIChE Annual Meeting, 2022
2022
Physics of protein-polyelectrolyte complexes
R Samanta
2020
Influence of charge heterogeneity and charge regulation in complexation between proteins and weak polyelectrolytes.
R Samanta, V Ganesan
Bulletin of the American Physical Society 65, 2020
2020
Effect of pH on the phase behavior of multiple proteins in oppositely charged weak polyelectrolyte solution
R Samanta, V Ganesan
Bulletin of the American Physical Society 65, 2020
2020
Complexation in Globular Protein and Polyelectrolyte Mixtures: Effect of Charge Regulation and Patchiness
R Samanta, V Ganesan
2019 AIChE Annual Meeting, 2019
2019
Design of Protein-Polyelectrolyte Complexes
R Samanta
2019 AIChE Annual Meeting, 2019
2019
Dynamic properties of water and salt ions in self-assembled morphologies of block copolymers
D Aryal, R Samanta, M Howard, T Truskett, V Ganesan
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019
2019
Transport properties of water and salt ions in confined geometries of block copolymers
D Aryal, R Samanta, V Ganesan
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019
2019
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