Influence of protein charge patches on the structure of protein–polyelectrolyte complexes R Samanta, V Ganesan Soft Matter 14 (46), 9475-9488, 2018 | 25 | 2018 |
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 | 21 | 2023 |
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 | 16 | 2021 |
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 | 14 | 2020 |
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 | 10 | 2018 |
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 | 9 | 2020 |
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 | 7 | 2020 |
Diverse Scientific Benchmarks for Implicit Membrane Energy Functions RF Alford, S Rituparna, JJ Gray J. Chem. Theory Comput. 17 (8), 5248-5261, 2021 | 3 | 2021 |
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 | 2 | 2021 |
Implicit model to capture electrostatic features of membrane environment R Samanta, JJ Gray PLOS Computational Biology 20 (1), e1011296, 2024 | 1 | 2024 |
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 |