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Keun Woo Lee
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2020 – today
- 2023
- [j18]Shraddha Parate
, Vikas Kumar
, Jong Chan Hong, Keun Woo Lee:
Investigation of Macrocyclic mTOR Modulators of Rapamycin Binding Site via Pharmacoinformatics Approaches. Comput. Biol. Chem. 104: 107875 (2023) - 2021
- [j17]Raj Kumar
, Vikas Kumar
, Keun Woo Lee:
A computational drug repurposing approach in identifying the cephalosporin antibiotic and anti-hepatitis C drug derivatives for COVID-19 treatment. Comput. Biol. Medicine 130: 104186 (2021) - [j16]Shailima Rampogu, Rajesh Goud Gajula, Gihwan Lee, Myeong Ok Kim, Keun Woo Lee:
Unravelling the therapeutic potential of marine drugs as SARS-CoV-2 inhibitors: An insight from essential dynamics and free energy landscape. Comput. Biol. Medicine 135: 104525 (2021) - 2020
- [j15]Shailima Rampogu, Gihwan Lee, Ravinder Doneti, Keun Woo Lee:
Short communication for targeting natural compounds against HER2 kinase domain as potential anticancer drugs applying pharmacophore based molecular modelling approaches- part 2. Comput. Biol. Chem. 87: 107242 (2020) - [j14]Shailima Rampogu, Seok Ju Park, Keun Woo Lee
, Ayoung Baek, Rohit Bavi
, Minky Son, Guang Ping Cao, Raj Kumar
, Chanin Park, Amir Zeb, Rabia Mukthar Rana:
Correction to "Identification of Novel Scaffolds with Dual Role as Antiepileptic and Anti-Breast Cancer". IEEE ACM Trans. Comput. Biol. Bioinform. 17(1): 365 (2020)
2010 – 2019
- 2019
- [j13]Shailima Rampogu, Shraddha Parate
, Saravanan Parameswaran
, Chanin Park, Ayoung Baek, Minky Son, YoHan Park
, Seok Ju Park, Keun Woo Lee:
Natural compounds as potential Hsp90 inhibitors for breast cancer-Pharmacophore guided molecular modelling studies. Comput. Biol. Chem. 83 (2019) - [j12]Shailima Rampogu, Ayoung Baek, Rohit Bavi
, Minky Son, Guang Ping Cao, Raj Kumar
, Chanin Park, Amir Zeb, Rabia Mukthar Rana, Seok Ju Park, Keun Woo Lee
:
Identification of Novel Scaffolds with Dual Role as Antiepileptic and Anti-Breast Cancer. IEEE ACM Trans. Comput. Biol. Bioinform. 16(5): 1663-1674 (2019) - 2018
- [j11]Shailima Rampogu, Minky Son, Ayoung Baek, Chanin Park, Rabia Mukthar Rana, Amir Zeb, Saravanan Parameswaran
, Keun Woo Lee:
Targeting natural compounds against HER2 kinase domain as potential anticancer drugs applying pharmacophore based molecular modelling approaches. Comput. Biol. Chem. 74: 327-338 (2018) - [j10]Amir Zeb, Chanin Park, Minky Son, Shailima Rampogu, Syed Ibrar Alam, Seok Ju Park, Keun Woo Lee:
Investigation of non-hydroxamate scaffolds against HDAC6 inhibition: A pharmacophore modeling, molecular docking, and molecular dynamics simulation approach. J. Bioinform. Comput. Biol. 16(3): 1840015:1-1840015:23 (2018) - 2016
- [j9]Subramanian Karunagaran, Subramaniyan Subhashchandrabose, Keun Woo Lee, Chandrasekaran Meganathan
:
Investigation on the isoform selectivity of novel kinesin-like protein 1 (KIF11) inhibitor using chemical feature based pharmacophore, molecular docking, and quantum mechanical studies. Comput. Biol. Chem. 61: 47-61 (2016) - [j8]Rohit Bavi
, Raj Kumar
, Shailima Rampogu, Minky Son, Chanin Park, Ayoung Baek, Hyong-Ha Kim, Jung-Keun Suh, Seok Ju Park, Keun Woo Lee:
Molecular interactions of UvrB protein and DNA from Helicobacter pylori: Insight into a molecular modeling approach. Comput. Biol. Medicine 75: 181-189 (2016) - 2015
- [j7]Rengarajan Kavitha, Subramanian Karunagaran, Subramaniam Subhash Chandrabose, Keun Woo Lee, Chandrasekaran Meganathan
:
Pharmacophore modeling, virtual screening, molecular docking studies and density functional theory approaches to identify novel ketohexokinase (KHK) inhibitors. Biosyst. 138: 39-52 (2015) - 2012
- [j6]Minsup Kim, Keun Woo Lee, Art E. Cho:
Elucidation of Allosteric Inhibition Mechanism of 2-Cys Human Peroxiredoxin by Molecular Modeling. J. Chem. Inf. Model. 52(12): 3278-3283 (2012) - 2011
- [j5]Shalini John, Sundarapandian Thangapandian, Sugunadevi Sakkiah
, Keun Woo Lee:
Potent bace-1 inhibitor design using pharmacophore modeling, in silico screening and molecular docking studies. BMC Bioinform. 12(S-1): S28 (2011) - [j4]Shalini John, Sundarapandian Thangapandian, Mahreen Arooj
, Jong Hong, Kwang Kim, Keun Woo Lee:
Development, evaluation and application of 3D QSAR Pharmacophore model in the discovery of potential human renin inhibitors. BMC Bioinform. 12(S-14): S4 (2011) - [j3]Sundarapandian Thangapandian, Shalini John, Sugunadevi Sakkiah
, Keun Woo Lee:
Molecular Docking and Pharmacophore Filtering in the Discovery of Dual-Inhibitors for Human Leukotriene A4 Hydrolase and Leukotriene C4 Synthase. J. Chem. Inf. Model. 51(1): 33-44 (2011)
2000 – 2009
- 2008
- [j2]Kavitha Bharatham, Nagakumar Bharatham, Yong Jung Kwon, Keun Woo Lee:
Molecular dynamics simulation study of PTP1B with allosteric inhibitor and its application in receptor based pharmacophore modeling. J. Comput. Aided Mol. Des. 22(12): 925-933 (2008) - 2001
- [j1]Keun Woo Lee, James M. Briggs
:
Comparative molecular field analysis (CoMFA) study of epothilones - tubulin depolymerization inhibitors: Pharmacophore development using 3D QSAR methods. J. Comput. Aided Mol. Des. 15(1): 41-55 (2001)
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