More Like this

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

   https://doi.org/10.1021/acs.jctc.9b00152  

   Gupta, Ankur Kumar ; Thapa, Bishnu ; Raghavachari, Krishnan ( June 2019 , Journal of Chemical Theory and Computation)
2. Quantum Mechanical Investigation of Three-Dimensional Activity Cliffs Using the Molecules-in-Molecules Fragmentation-Based Method

   https://doi.org/10.1021/acs.jcim.9b01123  

   Thapa, Bishnu ; Erickson, Jon ; Raghavachari, Krishnan ( May 2020 , Journal of Chemical Information and Modeling)
3. Assessment of Fragmentation Strategies for Large Proteins Using the Multilayer Molecules-in-Molecules Approach

   https://doi.org/10.1021/acs.jctc.7b01198  

   Thapa, Bishnu ; Beckett, Daniel ; Jovan Jose, K. V. ; Raghavachari, Krishnan ( February 2018 , Journal of Chemical Theory and Computation)
4. Theoretical Study of Protein–Ligand Interactions Using the Molecules-in-Molecules Fragmentation-Based Method

   https://doi.org/10.1021/acs.jctc.8b00531  

   Thapa, Bishnu ; Beckett, Daniel ; Erickson, Jon ; Raghavachari, Krishnan ( August 2018 , Journal of Chemical Theory and Computation)
5. Aromatic Fragmentation Based on a Ring Overlap Scheme: An Algorithm for Large Polycyclic Aromatic Hydrocarbons Using the Molecules-in-Molecules Fragmentation-Based Method

   https://doi.org/10.1021/acs.jctc.9b00566  

   Noffke, Benjamin W. ; Beckett, Daniel ; Li, Liang-shi ; Raghavachari, Krishnan ( April 2020 , Journal of Chemical Theory and Computation)