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Journal of Chemical Theory and Computation|September 29, 2018
Theoretical Study of Protein-Ligand Interactions Using the Molecules-in-Molecules Fragmentation-Based MethodBishnu Thapa, Daniel Beckett, Jon Erickson, et al.
The Journal of Physical Chemistry. A|May 6, 2026
MIM-ML: Combining Molecular Fragmentation and Machine Learning for Accurate Prediction of NMR Chemical Shifts for Large PeptidesSurya Sekhar Manna, Sruthy K Chandy, Krishnan Raghavachari
Annals of Emergency Medicine|May 1, 1985
Resuscitation of dogs from cold-water submersion using cardiopulmonary bypassS Tisherman, C Chabal, P Safar, et al.
The British Journal of Surgery|September 1, 1989
Sham feeding for testing gastric secretory capacities before and after parietal cell vagotomyF Gilly, J Chabal, J Boulez, et al.
Journal of Chemical Theory and Computation|October 19, 2019
Coupling Constants, High Spin, and Broken Symmetry States of Organic Radicals: an Assessment of the Molecules-in-Molecules Fragmentation-Based MethodTumpa Sadhukhan, Daniel Beckett, Bishnu Thapa, et al.
Thrombosis Research|May 24, 2000
Determining intramolecular binding sites on surface-bound von Willebrand factor under aqueous conditionsM Raghavachari, K Kottke-Marchant, R E Marchant
Journal of Chemical Theory and Computation|November 24, 2015
A Composite Energy Treatment for Sterically Hindered Cluster Models for the Si(100) SurfaceBenjamin C Gamoke, Nicholas J Mayhall, Krishnan Raghavachari
The Journal of Chemical Physics|December 3, 2008
Applications and assessment of QM:QM electronic embedding using generalized asymmetric Mulliken atomic chargesPriya V Parandekar, Hrant P Hratchian, Krishnan Raghavachari
The Journal of Chemical Physics|March 9, 2007
Gaussian-4 theoryLarry A Curtiss, Paul C Redfern, Krishnan Raghavachari
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