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List of works by Bishnu Thapa

Accurate and cost-effective NMR chemical shift predictions for proteins using a molecules-in-molecules fragmentation-based method

scientific article published on 27 November 2020

Accurate pKa Evaluations for Complex Bio-Organic Molecules in Aqueous Media

scientific article published on 09 October 2019

Assessment of Fragmentation Strategies for Large Proteins Using the Multilayer Molecules-in-Molecules Approach.

scientific article published on 16 February 2018

Computational Study of the Formation of C8, C5, and C4 Guanine:Lysine Adducts via Oxidation of Guanine by Sulfate Radical Anion

scientific article published on 06 June 2019

Coupling Constants, High Spin, and Broken Symmetry States of Organic Radicals: an Assessment of the Molecules-in-Molecules Fragmentation-Based Method

scientific article published on 18 October 2019

Energy Decomposition Analysis of Protein-Ligand Interactions Using Molecules-in-Molecules Fragmentation-Based Method

scientific article published on 12 August 2019

Exploring Reaction Energy Profiles Using the Molecules-in-Molecules Fragmentation-Based Approach

scientific article published on 05 June 2019

G4 accuracy at DFT cost: unlocking accurate redox potentials for organic molecules using systematic error cancellation

scientific article published on 01 February 2020

Theoretical Study of Protein-Ligand Interactions Using the Molecules-in-Molecules Fragmentation-Based Method

scientific article published on 28 September 2018

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