0000-0002-5864-260X Employment
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Indian Association for the Cultivation of Science
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Publications (12)
- Algorithmic detection of crystal structures from computer simulation data Save
- How predictive is peptide self-assembly?: correlating single- and bi-molecular structural properties with nanoscale assemblies Save
- Mechanism of Cu(i) transfer in copper trafficking proteins: initial coordination by neutral cysteine thiol and progressive remodelling of the protein–protein complex Save
- Understanding pathway complexity in assembly mechanisms of hydrophobic peptides in water: Insights from atomistic simulations via event tracking Save
- Electrostatic versus Hydrogen Bonding Control of Selectivity in CO2 Reduction by Iron Porphyrins Save
- Atomistic picture of the self-assembly dynamics of phenylalanine tripeptide into nanofibres: hierarchical mechanism and the role of on-pathway water dynamics Save
- Correlating molecular structures and self-assembly mechanisms via temporal analysis of multidimensional chemical interaction space: application to assemblies of isomeric peptides Save
- Understanding orientational disorder in crystalline assemblies of hard convex polyhedra Save
- Correlating molecular structure and self-assembly mechanism via Temporal Analysis of Multidimensional Chemical Interactions Space: Understanding the difference between assembly behaviors of isomeric peptides in water Save
- Role of Explicit Solvation in Computational Modeling of Chemical Reactions: Mechanism of Cu(I) Transfer Between Thiolate-Based Chelators in Water Save