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Journal of Theoretical Biology|November 30, 2019
Elimination of bitter-off taste of stevioside through structure modification and computational interventionsVijay Bhardwaj, Rahul Singh, Pooja Singh, et al.Protein Science : a Publication of the Protein Society|January 28, 2026
Expanding the therapeutic landscape of PDE10A inhibition through alchemical absolute binding free energy calculations and in-vitro evaluationBhanu Sharma, Rahul Singh, Ashish Kumar, et al.Cancers|November 25, 2023
Understanding the Role of Activation Loop Mutants in Drug Efficacy for FLT3-ITDJulhash U Kazi, Lina Al Ashiri, Rituraj Purohit, et al.Journal of Traditional and Complementary Medicine|June 8, 2021
In-silico evaluation of bioactive compounds from tea as potential SARS-CoV-2 nonstructural protein 16 inhibitorsRahul Singh, Vijay Kumar Bhardwaj, Jatin Sharma, et al.Journal of Cellular Biochemistry|March 22, 2022
Identification of acridinedione scaffolds as potential inhibitor of DENV-2 C protein: An in silico strategy to combat dengueSachin Kumar, Vijay K Bhardwaj, Rahul Singh, et al.Journal of Biomolecular Structure & Dynamics|April 18, 2014
Mutational analysis of FUS gene and its structural and functional role in amyotrophic lateral sclerosis 6Balu Kamaraj, Vidya Rajendran, Rao Sethumadhavan, et al.Journal of Biomolecular Structure & Dynamics|March 22, 2021
Identification of selective cyclin-dependent kinase 2 inhibitor from the library of pyrrolone-fused benzosuberene compounds: an in silico explorationRahul Singh, Vijay Kumar Bhardwaj, Jatin Sharma, et al.Interdisciplinary Sciences, Computational Life Sciences|January 8, 2013
Structure based energy calculation to determine the regulation of G protein signalling by RGS and RGS-G protein interaction specificityGavish Gulati, Krutika Satish Gaonkar, Balu Kamraj, et al.Biochimica Et Biophysica Acta. Bioenergetics|October 9, 2021
Improving the catalytic efficiency and dimeric stability of Cu,Zn superoxide dismutase by combining structure-guided consensus approach with site-directed mutagenesisSachin Kumar, Vijay Kumar Bhardwaj, Shweta Guleria, et al.Computers in Biology and Medicine|July 17, 2021
Identification of potential plant bioactive as SARS-CoV-2 Spike protein and human ACE2 fusion inhibitorsRahul Singh, Vijay Kumar Bhardwaj, Jatin Sharma, et al.Pageof 13