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Kulshrestha, A and Punnathanam, SN and Roy, R and Ayappa, KG (2023) Cholesterol catalyzes unfolding in membrane-inserted motifs of the pore forming protein cytolysin A. In: Biophysical Journal, 122 (20). pp. 4068-4081.
Kulshrestha, A and Maurya, S and Gupta, T and Roy, R and Punnathanam, SN and Ayappa, KG (2022) Conformational Flexibility Is a Key Determinant for the Lytic Activity of the Pore-Forming Protein, Cytolysin A. In: Journal of Physical Chemistry B, 127 (1). pp. 69-84.
Patel, R and Addula, RKR and Shaik, M and Punnathanam, SN (2022) Computing contact angles for oil-water-rock systems via thermodynamic integration. In: Journal of Chemical Physics, 157 (13).
Addula, RKR and Punnathanam, SN (2021) Molecular Theory of Nucleation from Dilute Phases: Formulation and Application to Lennard-Jones Vapor. In: Physical Review Letters, 126 (14).
Chintha, D and Veesam, SK and Boattini, E and Filion, L and Punnathanam, SN (2021) Modeling of effective interactions between ligand coated nanoparticles through symmetry functions. In: Journal of Chemical Physics, 155 (24).
Addula, RKR and Punnathanam, SN (2020) Computation of solid-fluid interfacial free energy in molecular systems using thermodynamic integration. In: Journal of Chemical Physics, 153 (15).
Veesam, SK and Punnathanam, SN (2020) Computation of the Dissociation Temperature of TBAB Semiclathrate in an Aqueous Solution Using Molecular Simulations. In: Journal of Physical Chemistry B, 124 (41). pp. 9195-9203.
Boattini, E and Bezem, N and Punnathanam, SN and Smallenburg, F and Filion, L (2020) Modeling of many-body interactions between elastic spheres through symmetry functions. In: Journal of Chemical Physics, 153 (6).
Kumari, S and Muthachikavil, AV and Tiwari, JK and Punnathanam, SN (2020) Computational study of differences between antifreeze activity of Type-III AFP from ocean pout and its mutant. In: Langmuir, 36 (9). pp. 2439-2448.
Reddy Addula, RK and Veesam, SK and Punnathanam, SN (2020) Review of the Frenkel�Ladd technique for computing free energies of crystalline solids. In: Molecular Simulation . (In Press)
Veesam, SK and Ravipati, S and Punnathanam, SN (2019) Recent advances in thermodynamics and nucleation of gas hydrates using molecular modeling. In: Current Opinion in Chemical Engineering, 23 . pp. 14-20.
Reddy, RK and Punnathanam, SN (2018) Calculation of excess free energy of molecular solids comprised of flexible molecules using Einstein molecule method. In: Molecular Simulation, 44 (10). pp. 781-788.
