Bishnu Thapa

11PUBLICATIONS
8CO-AUTHORS
Cheminformatics and quantitative structure-activity relationshipsF-block chemistryComputational chemistryFree radical chemistryChemical thermodynamics and energetics
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Publications (11)

|Jun 06, 2022
Comparative assessment of QM-based and MM-based models for prediction of protein-ligand binding affinity trends.

Sarah Maier, Bishnu Thapa, Jon Erickson

|Jul 21, 2020
Electrosynthesis of a Biaurone by Controlled Dimerization of Flavone: Mechanistic Insight and Large-Scale Application.

Seyyedamirhossein Hosseini, Bishnu Thapa, Maria J Medeiros

|May 15, 2020
Quantum Mechanical Investigation of Three-Dimensional Activity Cliffs Using the Molecules-in-Molecules Fragmentation-Based Method.

Bishnu Thapa, Jon Erickson, Krishnan Raghavachari

|Feb 14, 2020
G4 accuracy at DFT cost: unlocking accurate redox potentials for organic molecules using systematic error cancellation.

Sarah Maier, Bishnu Thapa, Krishnan Raghavachari

|Oct 19, 2019
Coupling Constants, High Spin, and Broken Symmetry States of Organic Radicals: an Assessment of the Molecules-in-Molecules Fragmentation-Based Method.

Tumpa Sadhukhan, Daniel Beckett, Bishnu Thapa

|Oct 10, 2019
Accurate pKa Evaluations for Complex Bio-Organic Molecules in Aqueous Media.

Bishnu Thapa, Krishnan Raghavachari

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Frequent Collaborators

10 joint publications

Krishnan Raghavachari

2 joint publications

Daniel Beckett

1 joint publications

Cynthia J Burrows

1 joint publications

H Bernhard Schlegel