Bishnu Thapa

ORCID

Publication Activity (10 Years)

Years Active: 2018-2022
Publications (10 Years): 11

Top Venues

Journal of chemical theory and computation

Physical chemistry chemical physics : PCCP

Journal of chemical information and modeling

The Journal of organic chemistry

Indiana University Bloomington

Wayne State University (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Indiana University Bloomington Jun 01 2017

United States

Postdoctoral Fellow :: Chemistry

Education History

Wayne State University Aug 17 2012 - Aug 16 2017

United States

PHD :: Chemistry

Publications

Sarah Maier, Bishnu Thapa, Jon Erickson, Krishnan Raghavachari
Comparative assessment of QM-based and MM-based models for prediction of protein-ligand binding affinity trends. Physical chemistry chemical physics : PCCP 24 (23) (2022)
Sarah Maier, Bishnu Thapa, Krishnan Raghavachari
G4 accuracy at DFT cost: unlocking accurate redox potentials for organic molecules using systematic error cancellation. Physical chemistry chemical physics : PCCP 22 (8) (2020)
Seyyedamirhossein Hosseini, Bishnu Thapa, Maria J Medeiros, Erick M Pasciak, Michael A Pence, Eric B Twum, Jonathan A Karty, Xinfeng Gao, Krishnan Raghavachari, Dennis G Peters, Mohammad S Mubarak
Electrosynthesis of a Biaurone by Controlled Dimerization of Flavone: Mechanistic Insight and Large-Scale Application. The Journal of organic chemistry 85 (16) (2020)
Bishnu Thapa, Jon Erickson, Krishnan Raghavachari
Quantum Mechanical Investigation of Three-Dimensional Activity Cliffs Using the Molecules-in-Molecules Fragmentation-Based Method. Journal of chemical information and modeling 60 (6) (2020)
Tumpa Sadhukhan, Daniel Beckett, Bishnu Thapa, Krishnan Raghavachari
Coupling Constants, High Spin, and Broken Symmetry States of Organic Radicals: an Assessment of the Molecules-in-Molecules Fragmentation-Based Method. Journal of chemical theory and computation 15 (11) (2019)
Bishnu Thapa, Sebastien P Hebert, Barbara H Munk, Cynthia J Burrows, H Bernhard Schlegel
Computational Study of the Formation of C8, C5, and C4 Guanine:Lysine Adducts via Oxidation of Guanine by Sulfate Radical Anion. The journal of physical chemistry. A 123 (24) (2019)
Bishnu Thapa, Krishnan Raghavachari
Energy Decomposition Analysis of Protein-Ligand Interactions Using Molecules-in-Molecules Fragmentation-Based Method. Journal of chemical information and modeling 59 (8) (2019)
Bishnu Thapa, Krishnan Raghavachari
Accurate pKa Evaluations for Complex Bio-Organic Molecules in Aqueous Media. Journal of chemical theory and computation 15 (11) (2019)
Ankur Kumar Gupta, Bishnu Thapa, Krishnan Raghavachari
Exploring Reaction Energy Profiles Using the Molecules-in-Molecules Fragmentation-Based Approach. Journal of chemical theory and computation 15 (7) (2019)
Bishnu Thapa, Daniel Beckett, K V Jovan Jose, Krishnan Raghavachari
Assessment of Fragmentation Strategies for Large Proteins Using the Multilayer Molecules-in-Molecules Approach. Journal of chemical theory and computation 14 (3) (2018)
Bishnu Thapa, Daniel Beckett, Jon Erickson, Krishnan Raghavachari
Theoretical Study of Protein-Ligand Interactions Using the Molecules-in-Molecules Fragmentation-Based Method. Journal of chemical theory and computation 14 (10) (2018)

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Publication Activity (10 Years)

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Bishnu Thapa