Ph.D. in Bioinformatics, Central University of South Bihar 2024
Master's degree in Bioinformatics, Jamia Millia Islamia 2018
Bachelor's in Botany Hons, Deshbandhu College Delhi University 2016
Research experience in Computer-Aided Drug Discovery (CADD), molecular modelling, and bioinformatics.
Academic and research involvement in herbicide lead discovery and molecular interaction analysis under DBT Project (2021-2023).
Experience in machine learning applications in bioinformatics.
Teaching undergraduate and postgraduate courses in Biotechnology and Bioinformatics.
Guiding student projects in computational biology.
Developing curriculum in bioinformatics and computational drug discovery.
Research mentoring and publication supervision.
Rajak BK, Rani P, Singh DV, Singh N. AI-enhanced 3D-QSAR screening of fragment-based novel designed molecules targeting Phalaris minor ACCase. Current Plant Biology. 2025 Jun 1;42:100454.
Rajak BK, Rani P. Artificial Intelligence for predicting drug-likeness and bioavailability. In Artificial Intelligence in Precision Drug Design, Volume 1. 2026 Jan 1 (pp. 101-119). Academic Press.
Rani P, Rajak BK. Artificial Intelligence in fragment-based and scaffold-hopping approaches for drug discovery. In Artificial Intelligence in Precision Drug Design, Volume 2. 2026 Jan 1 (pp. 393-411). Academic Press.
Rajak BK, Rani P, Singh N, Singh DV. In Silico Evaluation and Simulation-Based Prioritization of Herbicide-like Compounds Targeting Phalaris minor Acetyl-CoA Carboxylase. ACS Agricultural Science & Technology. 2025 Jan 17;5(2):222-34.
Rajak BK, Rani P, Mandal P, Chhokar RS, Singh N, Singh DV. Emerging possibilities in the advancement of herbicides to combat acetyl-CoA carboxylase inhibitor resistance. Frontiers in Agronomy. 2023 Jul 20;5:1218824.
Rani P, Rajak BK, Mahato GK, Rathore RS, Chandra G, Singh DV. Strategic lead compound design and development utilizing computer‐aided drug discovery (CADD) to address herbicide‐resistant Phalaris minor in wheat fields. Pest Management Science. 2025 May;81(5):2469-79.
Rajak BK, Rani P, Singh N, Singh DV. Sequence and structural similarities of ACCase protein of Phalaris minor and wheat: An insight to explain herbicide selectivity. Frontiers in Plant Science. 2023 Jan 4;13:1056474.
Rani P, Rajak BK, Singh DV. Physicochemical parameters for design and development of lead herbicide molecules: Is 'Lipinski's rule of 5′ appropriate for herbicide discovery?. Pest Management Science. 2023 May;79(5):1931-43.
Dhasmana A, Preetam S, Santhanam A, Rautela I, Sati A, Bora J, Rajak BK, Singh N, Malik S. Enhancing the Efficacy of Paclitaxel with Nano-Activators: A Novel Approach to Mitigating the Chemotherapies Side-Effects. Cell Biochemistry and Biophysics. 2026 Mar 19:1-9.
Sahu N, Singh N, Arya KR, Reddy SS, Rai AK, Shukla V, Pandey J, Narender T, Tamrakar AK, Kumar B, Rajak BK. Assessment of the dual role of Lyonia ovalifolia (Wall.) Drude in inhibiting AGEs and enhancing GLUT4 translocation through LC-ESI-QTOF-MS/MS determination and in silico studies. Frontiers in Pharmacology. 2023 Mar 27;14:1073327.
Rani P, Mandal P, Rajak BK, Singh DV. A review on dynamics of permeability-glycoprotein in efflux of chemotherapeutic drugs. Frontiers in Drug Discovery. 2024 Apr 11;4:1363364.
Sahu N, Dubey A, Singh N, Arya KR, Yadav P, Chaturvedi P, Meena S, Shukla V, Datta D, Tadigoppula N, Kumar B. Steroidal alkaloids from Sarcococca saligna (Buxaceae): in vitro and in silico evaluation of their cytotoxic potential. ACS Omega. 2025 Oct 10;10(41):48111-29.
Singh A, Singh N, Singh S, Srivastava RP, Singh L, Verma PC, Devkota HP, Rahman LU, Kumar Rajak B, Singh A, Saxena G. The industrially important genus Kaempferia: An ethnopharmacological review. Frontiers in Pharmacology. 2023 Feb 27;14:1099523.
Rajak BK, Rani P, Mandal P, Singh DV. Identification of lead molecule against acetyl-CoA carboxylases of Phalaris minor. AIJR Abstracts. 2021 Mar 16:69.
Kumar N, Mandal P, Kumar B, Rani P, Singh DV. Applications of molecular dynamics simulation and MM-PBSA methods in discovery of veterinary drugs. In Bioinformatics in Veterinary Science: Vetinformatics. 2025 Feb 1 (pp. 325-366). Singapore: Springer Nature Singapore.
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