Browsing by Subject Free energy
Showing results 1 to 5 of 5
| Issue Date | Title | Author(s) |
| May-2016 | Understanding Protein Organization in Membranes via Thermodynamic Characterization of Transmembrane Helix Insertion and Association | Sengupta, Durba; DUBEY, VIKAS; Dept. of Chemistry; 20111008 |
| Jun-2021 | Atomistic De-novo Inhibitor Generation-Guided Drug Repurposing for SARS-CoV-2 Spike Protein with Free Energy Validation by WellTempered Metadynamics | CHOWDHURY, RITUPARNO; ADURY, VENKATA SAI SREYAS; VIJAY, AMAL; SINGH, REMAN K.; MUKHERJEE, ARNAB; Dept. of Chemistry |
| Mar-2022 | Molecular Mechanism of Dual Intercalation in Sac7d-DNA Complexation | SINGH, REMAN KUMAR; MUKHERJEE, ARNAB; Dept. of Chemistry |
| Jun-2023 | Effect of Quantum Delocalization on Temperature Dependent Double Proton Transfer in Molecular Crystals of Terephthalic Acid | MONDAL, UNMESH; Girotto, Ivan; Hassanali, Ali; GHOSH, PRASENJIT; Dept. of Chemistry; Dept. of Physics |
| Aug-2025 | Entropy-stabilized ZrHfCoNiSnSb half-Heusler alloy for thermoelectric applications: a theoretical prediction | RANJAN, RAJEEV; Dept. of Physics |
