Boosting Virtual Screening Enrichments with Data Fusion: Coalescing Hits from Two-Dimensional Fingerprints, Shape, and Docking. - G. Madhavi Sastry; V. S. Sandeep Inakollu; Woody Sherman (J. Chem. Inf. Model., 2013)

A systematic benchmarking of computational vibrational spectroscopy with DFTB3: Normal mode analysis and fast Fourier transform dipole autocorrelation function. - V. S. Sandeep Inakollu; Haibo Yu 003 (J. Comput. Chem., 2018)