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Journal of Cheminformatics|March 26, 2021
SMPLIP-Score: predicting ligand binding affinity from simple and interpretable on-the-fly interaction fingerprint pattern descriptorsSurendra Kumar, Mi-Hyun KimACS Omega|December 23, 2024
Structure-Based QSAR Modeling of RET Kinase Inhibitors from 49 Different 5,6-Fused Bicyclic Heteroaromatic Cores to Patent-Driven ValidationSumin Jin, Surendra Kumar, Mi-Hyun KimBriefings in Bioinformatics|March 22, 2024
GPCR-IPL score: multilevel featurization of GPCR-ligand interaction patterns and prediction of ligand functions from selectivity to biased activationSurendra Kumar, Mahesh K Teli, Mi-Hyun KimRSC Medicinal Chemistry|September 17, 2025
Hinge binder modification into imidazopyridine for targeting actionable mutations of RET kinaseArunkranthi Maturi, Vinay Pogaku, Surendra Kumar, et al.Scientific Reports|November 16, 2024
NO classifier prediction of anti neuroinflammatory agents using text mining of 3D molecular fingerprintsSi Eun Lee, Sangjin Ahn, Surendra Kumar, et al.Journal of Cellular Biochemistry|April 19, 2021
In silico identification of prolyl hydroxylase inhibitor by per-residue energy decomposition-based pharmacophore approachMahesh Kumar Teli, Surendra Kumar, Dharmendra Kumar Yadav, et al.Scientific Reports|October 6, 2022
Prediction of chemical warfare agents based on cholinergic array type meta-predictorsSurendra Kumar, Chandni Kumari, Sangjin Ahn, et al.Journal of Biomolecular Structure & Dynamics|January 10, 2020
<i>In silico</i> identification of hydantoin derivatives: a novel natural prolyl hydroxylase inhibitorMahesh Kumar Teli, Surendra Kumar, Dharmendra Kumar Yadav, et al.Journal of Biomolecular Structure & Dynamics|February 20, 2020
Electric-field-induced electroporation and permeation of reactive oxygen species across a skin membraneDharmendra Kumar Yadav, Surendra Kumar, Eun-Ha Choi, et al.Journal of Cellular Biochemistry|January 7, 2020
Ligand-based pharmacophore modeling and docking studies on vitamin D receptor inhibitorsDharmendra Kumar Yadav, Surendra Kumar, Mahesh Kumar Teli, et al.Pageof 103