Publications
Journal Publications
R Samanta, JJ Gray, Implicit model to capture electrostatic features of membrane environment. bioRxiv, 2023.06. 26.546486 (submission under review), 2023
Marc Lensink, Guillaume Brysbaert, Nessim Raouraoua, et al. Impact of AlphaFold on Structure Prediction of Protein Complexes: The CASP15-CAPRI Experiment, Authorea, July 2023
JK Leman et al., Ensuring scientific reproducibility in bio-macromolecular modeling via extensive, automated benchmarks, Nature communications, 2021,12, 1, 1-15
RF Alford*, R Samanta*, JJ Gray, Diverse Scientific Benchmarks for Implicit Membrane Energy Functions, Journal of Chemical Theory and Computation, 2021, 17, 8, 5248–5261
R Samanta, V Ganesan. Influence of Charge Regulation and Charge Heterogeneity on Complexation between weak Polyelectrolytes and Weak Proteins near Isoelectric Point, Macromolecular Theory and Simulations, 2021, 30, 1, 2000054
R Samanta, V Ganesan. Direct simulations of phase behavior if mixtures of oppositely charged proteins/nanoparticles and polyelectrolytes; The Journal of Physical Chemistry B, 2020, 124, 48, 10943-10951
R Samanta, A Halabe, V Ganesan, Influence of Charge Regulation and Charge Heterogeneity on Complexation between Polyelectrolytes and Proteins; The Journal of Physical Chemistry B, 2020, 124, 22, 4421–4435
D Aryal, M P Howard, R Samanta, S Antoine, R Segalman, TM Truskett, V Ganesan, Influence of pore morphology on the diffusion of water in triblock copolymer membranes, The Journal of Chemical Physics, 2020, 152, 014904
R Samanta, V Ganesan, Influence of protein charge patches on the structure of protein-polyelectrolyte complexes; Soft Matter, 2018, 9475-9488
R Samanta, V Ganesan, Influence of dielectric inhomogeneities on the structure of charged nanoparticles in neutral polymer solutions; Soft Matter, 2018, 14, 3748
R Samanta, A Ganguly, A Kumar, S Pathak, Impact of hot metal properties on steel making process and its pretreatment, May 10, 2015, Proceedings of the 6th International Congress on the Science and Technology of Steelmaking, ICS 2015
Conference Talks
R Samanta, JJ Gray, Implicit heuristic model captures electrostatic features of cell membrane environment, AIChE, November 2022, Phoenix, Arizona, USA.
R Samanta, Computational Methods to Engineer Proteins for Health and Environmental Applications, AIChE, November 2022, Phoenix, Arizona, USA.
R Samanta, JJ Gray, Implicit model to capture electrostatic features of membrane environment, Summer Rosetta Conference, August 2022, Washington, USA.
R Samanta, V Ganesan, Influence of charge heterogeneity and charge regulation in complexation between proteins and weak polyelectrolytes, American Physical Society (APS), March 2020, Denver, Colorado, USA (virtual).
R Samanta, V Ganesan, Complexation in Globular Protein and Polyelectrolyte Mixtures: Effect of Charge Regulation and Patchiness, AIChE Annual Meeting, November 2019, Orlando, Florida, USA
R Samanta, V Ganesan, Design of Protein-Polyelectrolyte Complexes, AIChE Annual Meeting, November 2019, Orlando, Florida, USA
R Samanta, V Ganesan, Effect of pH on polymer adsorption and bridging in a two oppositely charged nanoparticle/protein system, APS, March 2019, Boston, Massachusetts, USA
R Samanta, V Ganesan, Self-assembly of multiple patchy particles in presence of oppositely charged polyelectrolytes, APS, March 2018, Los Angeles, California, USA
R Samanta, V Ganesan, Influence of dielectric inhomogeneities in aggregation of charged nanoparticles in polymer solutions, APS, March 2017, New Orleans, USA
R Samanta, V Ganesan, Influence of dielectric inhomogeneities in aggregation of charged nanoparticles in polymer solutions, Texas Soft Matter Meeting, August 2017, Houston, USA
R Samanta, Adity Ganguly, Ashok Kumar, Sudhangshu Pathak, Impact of hot metal properties on steel making process and its pretreatment, 6th International Congress on the Science and Technology of Steelmaking (ICS), May 2015, Beijing, China
R Samanta, R Anandalakshmi, T Basak, Analysis of Natural convection in a right triangular cavity with concave and convex Hypotenuse, Student Chemical Congress, August 2010, Guntur, India.
Invited Talks
Physics of Protein and Polyelectrolyte Complexes, Indian Institute of Technology Madras (IITM), Chennai, India, September 2021.
Posters
R Samanta*, A Harmalkar*, P Prathima, J Gray, An expanded benchmark to advance membrane associated protein docking, Summer Rosetta Conference, August 2023, Leavenworth, Washington, USA.
S kannapan, R Samanta, J Gray, Computational design of a Cryo-EM scaffold for visualizing small bioactive molecules, Summer Rosetta Conference, August 2023, Leavenworth, Washington, USA.
R Samanta, J Gray, pH-sensitive Implicit model to capture features of membrane environment, Molecular Biophysics of Membranes, June 2022, Tahoe City, California, USA,
R Samanta, J Gray, pH-sensitive Implicit model to capture features of lipid membrane environment for membrane proteins, Winter Rosetta Conference (WRC), February 2022 (virtual)
R Samanta, V Ganesan, Effect of pH on the phase behavior of multiple proteins in oppositely charged weak polyelectrolyte solution, American Physical Society (APS), March 2020, Denver, Colorado, USA (virtual).
R Samanta, V Ganesan, Design of protein and polyelectrolyte complexes, AIChE, November 2019, Orlando, Florida, USA.
R Samanta, V Ganesan, Effect of pH on structure of charged nanoparticles in oppositely charged polyelectrolyte solutions, APS, March 2019, Boston, Massachusetts, USA.
R Samanta, V Ganesan, Influence of protein charge patches on the structure of protein-polyelectrolyte complexes, Texas Soft matter meeting, August 2018, Austin, Texas, USA.
R Samanta, V Ganesan, Influence of protein charge patches on the structure of protein-polyelectrolyte complexes, Gordon Research Conference, July 2019, Polymer physics, Mount Holyoke, Massachusetts, USA.
R Samanta, V Ganesan, Effect of dielectric inhomogeneity in the aggregation of multiple charged Nanoparticles and Polyelectrolyte, APS, March 2018, Los Angeles, California, USA, (Second place, DPOLY poster competition).