Computational insights into the role of α-strand/sheet in aggregation of α-synuclein von Balupuri, Anand, Choi, Kwang-Eun, Kang, Nam Sook

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The Study on the hERG Blocker Prediction Using Chemical Fingerprint Analysis von Choi, Kwang-Eun, Balupuri, Anand, Kang, Nam Sook

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3D-QSAR, docking, molecular dynamics simulation and free energy calculation studies of some pyrimidine derivatives as novel JAK3 inhibitors von Balupuri, Anand, Balasubramanian, Pavithra K., Cho, Seung Joo

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TWN-RENCOD: A novel method for protein binding site comparison von Choi, Kwang-Eun, Balupuri, Anand, Kang, Nam Sook

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Inhibition of β-site amyloid precursor protein cleaving enzyme 1 and cholinesterases by pterosins via a specific structure−activity relationship with a strong BBB permeability von Jannat, Susoma, Balupuri, Anand, Ali, Md Yousof, Hong, Seong Su, Choi, Chun Whan, Choi, Yun-Hyeok, Ku, Jin-Mo, Kim, Woo Jung, Leem, Jae Yoon, Kim, Ju Eun, Shrestha, Abinash Chandra, Ham, Ha Neul, Lee, Kee-Ho, Kim, Dong Min, Kang, Nam Sook, Park, Gil Hong

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Topological Water Network Analysis Around Amino Acids von Choi, Kwang-Eun, Chae, Eunkyoung, Balupuri, Anand, Yoon, Hye Ree, Kang, Nam Sook

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Pharmacophoric Site Identification and Inhibitor Design for Autotaxin von Lee, Myeong Hwi, Lee, Dae-Yon, Balupuri, Anand, Jeong, Jong-Woo, Kang, Nam Sook

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TWN-FS method: A novel fragment screening method for drug discovery von Yoon, Hye Ree, Park, Gyoung Jin, Balupuri, Anand, Kang, Nam Sook

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Molecular modeling studies on series of Btk inhibitors using docking, structure-based 3D-QSAR and molecular dynamics simulation: a combined approach von Balasubramanian, Pavithra K, Balupuri, Anand, Cho, Seung Joo

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Enzyme Kinetics and Molecular Docking Studies on Cytochrome 2B6, 2C19, 2E1, and 3A4 Activities by Sauchinone von Gong, Eun Chae, Chea, Satya, Balupuri, Anand, Kang, Nam Sook, Chin, Young-Won, Choi, Young Hee

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Design of a Novel and Selective IRAK4 Inhibitor Using Topological Water Network Analysis and Molecular Modeling Approaches von Lee, Myeong Hwi, Balupuri, Anand, Jung, Ye-Rim, Choi, Sungwook, Lee, Areum, Cho, Young Sik, Kang, Nam Sook

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3D-QSAR study of tetrahydro-3H-imidazo[4,5-c]pyridine derivatives as VEGFR-2 kinase inhibitors using various charge schemes von Balupuri, Anand, Balasubramanian, Pavithra K, Cho, Seung Joo

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Discovery and optimization of ATX inhibitors via modeling, synthesis and biological evaluation von Balupuri, Anand, Lee, Myeong Hwi, Chae, Sangeun, Jung, Eunmi, Yoon, Woosub, Kim, Yunki, Son, So Jung, Ryu, Jeonghee, Kang, Dae-Hyuck, Yang, Young-Jae, You, Ji-Na, Kwon, Hyunjin, Jeong, Jong-Woo, Koo, Tae-Sung, Lee, Dae-Yon, Kang, Nam Sook

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Molecular Modeling Studies of Trisubstituted Thiazoles as Cdc7 Kinase Inhibitors through 3D-QSAR and Molecular Docking Simulation von Balasubramanian, Pavithra K., Balupuri, Anand, Cho, Seung Joo

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In silico study on indole derivatives as anti HIV-1 agents: a combined docking, molecular dynamics and 3D-QSAR study von Balupuri, Anand, Gadhe, Changdev G., Balasubramanian, Pavithra K., Kothandan, Gugan, Cho, Seung Joo

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Systematic Target Screening Revealed That Tif302 Could Be an Off-Target of the Antifungal Terbinafine in Fission Yeast von Lee, Sol, Nam, Miyoung, Lee, Ah-Reum, Lee, Jaewoong, Woo, Jihye, Kang, Nam Sook, Balupuri, Anand, Lee, Minho, Kim, Seon-Young, Ro, Hyunju, Choi, Youn-Woong, Kim, Dong-Uk, Hoe, Kwang-Lae

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Theoretical Characterization of Binding Mode of Organosilicon Inhibitor with p38: Docking, MD Simulation and MM/GBSA Free Energy Approach von Gadhe, Changdev G., Balupuri, Anand, Kothandan, Gugan, Cho, Seung Joo

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Investigating the effect of water on collagen triple helix stability von Balupuri, Anand, Son, Dong-Hyun, Sook Kang, Nam

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Design, synthesis of new 3H-imidazo[4,5-b]pyridine derivatives and evaluation of their inhibitory properties as mixed lineage kinase 3 inhibitors von Yoon, Hye Ree, Balupuri, Anand, Lee, Jinwoo, Lee, Chaeeun, Son, Dong-Hyun, Jeoung, Re Gin, Kim, Kyung ah, Choi, Sungwook, Kang, Nam Sook

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Small Molecule Inhibitors of DYRK1A Identified by Computational and Experimental Approaches von Yoon, Hye Ree, Balupuri, Anand, Choi, Kwang-Eun, Kang, Nam Sook

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