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- 2023
-
Mark
eChem : A Notebook Exploration of Quantum Chemistry
(
- Contribution to journal › Article
- 2021
-
Mark
Ligand-protein interactions of plant-isolated (9z,12z)-octadeca-9,12-dienoic acid with Β-ketoacyl-Acp synthase (KasA) in potential anti-tubercular drug designing
(
- Contribution to journal › Article
-
Mark
Experimental and Computational Models for Side Chain Discrimination in Peptide–Protein Interactions
(
- Contribution to journal › Article
- 2018
-
Mark
Improving Tröger's Base Chemistry : Developing the Chemistry of Tröger's base
2018)(
- Thesis › Doctoral thesis (compilation)
-
Mark
Design, Synthesis and Computational Study of Fluorinated Quinoxaline-Oligothiophene-based Conjugated Polymers with Broad Spectral Coverage
(
- Contribution to journal › Article
- 2017
-
Mark
Targeting the reactive intermediate in polysaccharide monooxygenases
2017) In Journal of Biological Inorganic Chemistry(
- Contribution to journal › Article
- 2003
-
Mark
Molcas: a program package for computational chemistry.
2003) Symposium on Software Development for Process and Materials Disign In Computational Materials Science 28(2). p.222-239(
- Contribution to journal › Article