From drug target to leads-sketching a physico-chemical pathway for lead molecule design in silico SA Shaikh, T Jain, G Sandhu, A Soni, B Jayaram Front. Med. Chem. Online 6, 324, 2013 | 93 | 2013 |
A DNA intercalation methodology for an efficient prediction of ligand binding pose and energetics A Soni, P Khurana, T Singh, B Jayaram Bioinformatics 33 (10), 1488-1496, 2017 | 58 | 2017 |
Evaluation of novobiocin and telmisartan for anti-CHIKV activity PK Tripathi, A Soni, SPS Yadav, A Kumar, N Gaurav, S Raghavendhar, ... Virology 548, 250-260, 2020 | 31 | 2020 |
Genomes to hits in Silico-a country path today, a highway tomorrow: a case study of Chikungunya A Soni, KM Pandey, P Ray, B Jayaram Current pharmaceutical design 19 (26), 4687-4700, 2013 | 24 | 2013 |
Improving the binding affinity estimations of protein–ligand complexes using machine-learning facilitated force field method A Soni, R Bhat, B Jayaram Journal of Computer-Aided Molecular Design 34 (8), 817-830, 2020 | 22 | 2020 |
Nearest-neighbor amino acids of specificity-determining residues influence the activity of engineered Cre-type recombinases A Soni, M Augsburg, F Buchholz, MT Pisabarro Scientific reports 10 (1), 1-13, 2020 | 10 | 2020 |
Nonsteroidal estrogen receptor isoform‐selective biphenyls S Bhatnagar, A Soni, S Kaushik, M Rikhi, TR Santhoshkumar, B Jayaram Chemical biology & drug design 91 (2), 620-630, 2018 | 9 | 2018 |
Conformational dynamics promotes disordered regions from function-dispensable to essential in evolved site-specific DNA recombinases C Guillén-Pingarrón, PM Guillem-Gloria, A Soni, G Ruiz-Gómez, ... Computational and structural biotechnology journal 20, 989-1001, 2022 | 6 | 2022 |
A comprehensive automated computer-aided discovery pipeline from genomes to hit molecules R Bhat, R Kaushik, A Singh, D DasGupta, A Jayaraj, A Soni, A Shandilya, ... Chemical Engineering Science 222, 115711, 2020 | 4 | 2020 |
An overview of protein–ligand docking and scoring algorithms R Bhat, A Jayaraj, A Soni, B Jayaram PROTEIN INTERACTIONS: Computational Methods, Analysis and Applications, 371-398, 2020 | 3 | 2020 |
107 Genomes to hit molecules In Silico: a country path today, a highway tomorrow: a case study of Chikungunya A Soni, P Dhingra, A Mishra, T Singh, G Mukherjee, B Jayaram Journal of Biomolecular Structure and Dynamics 31 (sup1), 67-68, 2013 | 1 | 2013 |
A comprehensive automated computer-aided discovery pipeline from genomes to hit molecules R Bhat, R Kaushik, A Singh, D DasGupta, A Jayaraj, A Soni, A Shandilya, ... JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS 37, 17-18, 2019 | | 2019 |
In silico identification of lead molecules for er and nsp2 proteins and intercalators for DNA: some methodological advancements A Soni | | 2017 |