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Gautam, Vertika and Gaurav, Anand and Masand, Neeraj and Lee, Vannajan Sanghiran and Patil, Vaishali M. (2023) Artificial intelligence and machine-learning approaches in structure and ligand-based discovery of drugs affecting central nervous system. Molecular Diversity, 27 (2). pp. 959-985. ISSN 1381-1991, DOI https://doi.org/10.1007/s11030-022-10489-3.
Gautam, Vertika and Nimmanpipug, Piyarat and Zain, Sharifuddin Md and Abd Rahman, Noorsaadah and Lee, Vannajan Sanghiran (2021) Molecular dynamics simulations in designing DARPins as phosphorylation-specific protein binders of ERK2. Molecules, 26 (15). ISSN 1420-3049, DOI https://doi.org/10.3390/molecules26154540.
Gautam, Vertika and Chong, Wei Lim and Chin, Sek Peng and Zain, Sharifuddin Md and Abd Rahman, Noorsaadah and Vao-soongnern, Visit and Lee, Vannajan Sanghiran (2019) Loop dynamics behind the affinity of DARPins towards ERK2: Molecular dynamics simulations (MDs) and elastic network model (ENM). Journal of Molecular Liquids, 274. pp. 612-620. ISSN 0167-7322, DOI https://doi.org/10.1016/j.molliq.2018.10.157.
