Publications

V. Ganesan, M. H. Priya, Probing the Conformational Preference to beta -strand during Peptide Self-Assembly, J. Phys. Chem. B., 127, 26, 5821-5836, 2023
V. Ganesan, M. H. Priya, “Revealing the Key Packing Features Determining the Stability of Peptide Bilayer Membrane”, ACS Applied Biomaterials (doi.org/10.1021/acsabm.2c00949)
S. Pachpinde, M. Hamsa Priya, U. Natarajan, Molecular dynamics simulations of structure and dynamics in aqueous solution of neutral and ionized derivatives of poly(vinyl amine): methyl, n-propyl, and iso-propyl substitutions, J. Mol. Model., 28, 151, 2022.
S. Sundar, A. A. Sandilya, M. Hamsa Priya “Unraveling the influence of Osmolytes on Water Hydrogen-Bond Network: From Local Structure to Graph Theory Analysis” J. Chem. Inf. Model. 61, 3927-3944, 2021
A. A Sandilya, U. Natarajan, M. Hamsa Priya. “Molecular View into the Cyclodextrin Cavity: Structure and Hydration”, ACS Omega, 5, 25655-25667, 2020 (Featured on Journal Cover Page)
M. Hamsa Priya, S. Merchant, D. Asthagiri, M. E. Paulaitis. “Quasi-chemical theory of cosolvent hydrophobic preferential interactions”, Journal of Physical Chemistry B, 116, 6506-6513, 2012
M. Hamsa Priya, L. R. Pratt, M. E. Paulaitis. “Effect of PEG end-group hydrophobicity on lysozyme interactions in solution characterized by light scattering”, Langmuir, 27, 13713-13718, 2011
M. Hamsa Priya, H. S. Ashbaugh, M. E. Paulaitis. “Cosolvent preferential molecular interactions in aqueous solutions”, Journal of Physical Chemistry B, 115, 13633-13642, 2011
M. Hamsa Priya, J. K. Shah, D. Asthagiri, M. E. Paulaitis. “Distinguishing thermodynamic and kinetic views of the preferential hydration of protein surfaces”, Biophysical Journal, 95, 2219-2225, 2008
M. H. Priya, G. Madras. “Kinetics of photocatalytic degradation of phenols with multiple substituent groups”, Journal of Photochemistry and Photobiology A – Chemistry, 179, 256-262, 2006
M. H. Priya, G. Madras. “Photocatalytic degradation of nitrobenzenes with combustion synthesized nano-TiO2”, Journal of Photochemistry and Photobiology A – Chemistry, 178, 1-7, 2006
M. H. Priya, G. Madras. “Kinetics of TiO2-catalyzed ultrasonic degradation of rhodamine dyes”, Industrial & Engineering Chemistry Research, 45, 913-921, 2006
M. H. Priya, G. Madras. “Kinetics of photocatalytic degradation of chlorophenol, nitrophenol and their mixtures”, Industrial & Engineering Chemistry Research, 45, 482-486, 2006
Muktha, M. H. Priya, G. Madras. “Synthesis, structure, and photocatalysis in a new structural variant of the Aurivillius phase: LiBi4M3O14 (M = Nb, Ta)”,Journal of Physical Chemistry B, 109, 11442-11449, 2005
Sivalingam, M. H. Priya, G. Madras. “Kinetics of the photodegration of substituted phenols by solution combustion synthesized TiO2”, Applied catalysis B – Environmental, 51, 67-76, 2004

Presentations:

V. Ganesan, M. H. Priya, “Delving into Structural Features Stabilizing the Self- Assembly of Surfactant like Peptides into Stable Nanostructures”, MBU@50 in IISc, Jan 2023 (poster)
S. Ganesan, M. H. Priya, “Delineating the Role of Electrostatic Interactions in Ordered Fibrillation”, MBU@50 in IISc, Jan 2023 (poster)
B. Priya, M. H. Priya, “Computational Prediction of Morphology of Peptide Nanostructures”, COMPFLU, Dec 2022 (poster)
M. H. Priya, S. Sundar, A. A. Sandilya, S. Ganesan, “Exploring the preferential interactions of osmolytes with protein through graph network analysis”, ACS Fall Conference – Sustainability in a Changing World, August 2022
V. Ganesan, M. H. Priya, “Pertinence of packing geometry on peptide bilayer integrity” AACS Fall Conference – Sustainability in a Changing World, August 2022
A. A. Sandilya, M. H. Priya, “Structural deformation and cavity closure in 2-hydroxypropyl cyclodextrin”, ACS Spring Conference, March 2022 (poster)
M. H. Priya, “Preferential Interactions in Aqueous Solutions – What is the determining molecular feature?” Department of Chemical Engineering, Indian Institute of Science, July 2021 (Invited Talk)
A. A. Sandilya, U. Natarajan, M. H. Priya “Molecular View into the Cyclodextrin Cavity: Structure and Hydration” ACS Spring Virtual Conference — Macromolecular Chemistry: The Second Century, April 2021
S. Ganesan, M. H. Priya, “Aggregation Dynamics of Amyloidogenic Peptides through Coarse-grained Simulations” ACS Spring Virtual Conference — Macromolecular Chemistry: The Second Century, April 2021 (poster)
A. A. Sandilya, U. Natarajan, M. H. Priya, “Confinement effects on water in cyclodextrin cavity”, 5th IITM-Tokyo Tech Joint Symposium, March 2020 (poster)
S. Sundar, M. H. Priya, “Do cosolvents really modulate water hydrogen bond network?”, 5th IITM-Tokyo Tech Joint Symposium, March 2020 (poster)
S. Pachpinde, U. Natarajan, M. H. Priya, “Dominant conformations of unbound oxytocin in water”, 5th IITM-Tokyo Tech Joint Symposium, March 2020 (poster)
V. Ganesan, M. H. Priya, “Identifying the Molecular Orientation for Self assembly of Surfactant Like Peptides”, 5th IITM-Tokyo Tech Joint Symposium, March 2020 (poster)
A. A. Sandilya, U. Natarajan, M. H. Priya, “A Molecular View into the Cyclodextrin Cavity and Water Confined Within”, First DAE Computational Chemistry Symposium, 2019 (poster)
V. Ganesan, M. H. Priya, “Identifying the Molecular Orientation for Self assembly of Surfactant Like Peptides”, Biological Engineering Society India Annual Meeting and Conference (BESCON), 2019 (poster)
A. A. Sandilya, U. Natarajan, M. H. Priya, “A Molecular View into the Cyclodextrin Cavity and Water Confined Within” ”, Biological Engineering Society India Annual Meeting and Conference (BESCON), 2019 (poster)
M. H. Priya, “A group contribution scheme for protein hydration”, 24th Edward F. Hayes Research Forum, Ohio State University, May 2010
M. H. Priya, S. Gandhi, A. Zuo, M. E. Paulaitis, “Modeling and measurements of weak transient protein-protein interactions”, 101st Annual meeting of AIChE, November 2009
M. H. Priya, H. S. Ashbaugh, M. E. Paulaitis, “Influence of cosolvents in proteinprotein interactions”, 100th Annual meeting of AIChE, November 2008
M. H. Priya, J. K. Shah, D. Asthagiri, M. E. Paulaitis, “Thermodynamics and kinetics perspectives of specific hydration sites on protein surfaces”, 99th Annual meeting of AIChE, November 2007
M. H. Priya, D. Asthagiri, M. E. Paulaitis, “Reconciling thermodynamic and kinetic views of bound water on protein surfaces”, Faraday Discussion 141: Water – From Interfaces to the Bulk, August 2008 (poster)
D. Asthagiri, M. H. Priya, A. Paliwal, A. Lenhoff, M. E. Paulaitis, “Hydration of proteins and weak protein-protein interactions”, 81st ACS Colloids & Surface Science Symposium, June 2007
M. H. Priya, D. Asthagiri, M. E. Paulaitis, “Bridging the thermodynamic and the kinetic behavior of waters of protein hydration”, Institute for Nano-biotechnology symposium, April 2007 (poster)
M. H. Priya, D. Asthagiri, M. E. Paulaitis, “Bridging the thermodynamic and the kinetic behavior of waters of protein hydration”, 51st Annual meeting of Biophysical society, March 2007 (poster)