Browsing by Subject Molecular Dynamics
Showing results 1 to 8 of 8
| Issue Date | Title | Author(s) |
| May-2012 | Multistep Drug Intercalation: Molecular Dynamics and Free Energy Studies of the Binding of Daunomycin to DNA | Wilhelm , Matthieu; MUKHERJEE, ARNAB; Bouvier, Benjamin; Zakrzewska, Krystyna; Hynes, James T.; Lavery, Richard; Dept. of Chemistry |
| May-2012 | Molecular Dynamics Simulation of Phosphoric Acid Doped Monomer of Polybenzimidazole: A Potential Component Polymer Electrolyte Membrane of Fuel Cell | Pahari, Swagata; Choudhury, Chandan Kumar; Pandey, Prithvi Raj; More, Minal; VENKATNATHAN, ARUN; Roy, Sudip; Dept. of Chemistry |
| May-2012 | Interaction of unprotonated and protonated polyethylenimine with phoshpholipid bilayer: A molecular dynamics study | Roy, Sudip; KUMAR, ABHINAW; Dept. of Chemistry; 20071050 |
| May-2014 | Atomistic investigation of polymer electrolyte membrane nanostructure and dynamics of molecular transport in fuel cells | VENKATNATHAN, ARUN; SUNDA, ANURAG PRAKASH; Dept. of Chemistry; 20103061 |
| May-2016 | Self-Assembly of Polymeric Chains under a new Radially Symmetric Potential | CHATTERJI, APRATIM; ABRAHAM, ALEX; Dept. of Physics; 20111059 |
| Feb-2018 | Coarse-Grained Molecular Dynamics Force-Field for Polyacrylamide in Infinite Dilution Derived from Iterative Boltzmann Inversion and MARTINI Force-Field | BANERJEE, PALLAVI; Roy, Sudip; Nair, Nitish; Dept. of Chemistry |
| Mar-2020 | Computer Simulations of CO2 Absorption in Amino Acid Ionics & Ion Conduction in Alkali Metal Battery Electrolytes | VENKATNATHAN, ARUN; PRAKASH, PRABHAT; Dept. of Chemistry; 20143344 |
| May-2023 | GPU-based Multiscale Simulation to Model Active Matter Hydrodynamics in Fluid Medium | CHATTERJI, APRATIM; T N, SUHAL SIVA RATAN; Dept. of Physics; 20181035 |
