Comparative molecular field analysis (CoMFA) study of epothilones - tubulin depolymerization inhibitors: Pharmacophore development using 3D QSAR methods. - Keun Woo Lee; James M. Briggs (J. Comput. Aided Mol. Des., 2001)

Molecular dynamics simulation study of PTP1B with allosteric inhibitor and its application in receptor based pharmacophore modeling. - Kavitha Bharatham; Nagakumar Bharatham; Yong Jung Kwon; Keun Woo Lee (J. Comput. Aided Mol. Des., 2008)

Development, evaluation and application of 3D QSAR Pharmacophore model in the discovery of potential human renin inhibitors. - Shalini John; Sundarapandian Thangapandian; Mahreen Arooj; Jong Hong; Kwang Kim; Keun Woo Lee (BMC Bioinform., 2011)

Potent bace-1 inhibitor design using pharmacophore modeling, in silico screening and molecular docking studies. - Shalini John; Sundarapandian Thangapandian; Sugunadevi Sakkiah; Keun Woo Lee (BMC Bioinform., 2011)

Molecular Docking and Pharmacophore Filtering in the Discovery of Dual-Inhibitors for Human Leukotriene A4 Hydrolase and Leukotriene C4 Synthase. - Sundarapandian Thangapandian; Shalini John; Sugunadevi Sakkiah; Keun Woo Lee (J. Chem. Inf. Model., 2011)

Elucidation of Allosteric Inhibition Mechanism of 2-Cys Human Peroxiredoxin by Molecular Modeling. - Minsup Kim; Keun Woo Lee; Art E. Cho (J. Chem. Inf. Model., 2012)

Pharmacophore modeling, virtual screening, molecular docking studies and density functional theory approaches to identify novel ketohexokinase (KHK) inhibitors. - Rengarajan Kavitha; Subramanian Karunagaran; Subramaniam Subhash Chandrabose; Keun Woo Lee; Chandrasekaran Meganathan (Biosyst., 2015)

Investigation on the isoform selectivity of novel kinesin-like protein 1 (KIF11) inhibitor using chemical feature based pharmacophore, molecular docking, and quantum mechanical studies. - Subramanian Karunagaran; Subramaniyan Subhashchandrabose; Keun Woo Lee; Chandrasekaran Meganathan (Comput. Biol. Chem., 2016)

Molecular interactions of UvrB protein and DNA from Helicobacter pylori: Insight into a molecular modeling approach. - Rohit Bavi; Raj Kumar; Shailima Rampogu; Minky Son; Chanin Park; Ayoung Baek; Hyong-Ha Kim; Jung-Keun Suh; Seok Ju Park; Keun Woo Lee (Comput. Biol. Medicine, 2016)

Targeting natural compounds against HER2 kinase domain as potential anticancer drugs applying pharmacophore based molecular modelling approaches. - Shailima Rampogu; Minky Son; Ayoung Baek; Chanin Park; Rabia Mukthar Rana; Amir Zeb; Saravanan Parameswaran; Keun Woo Lee (Comput. Biol. Chem., 2018)

Investigation of non-hydroxamate scaffolds against HDAC6 inhibition: A pharmacophore modeling, molecular docking, and molecular dynamics simulation approach. - Amir Zeb; Chanin Park; Minky Son; Shailima Rampogu; Syed Ibrar Alam; Seok Ju Park; Keun Woo Lee (J. Bioinform. Comput. Biol., 2018)

Natural compounds as potential Hsp90 inhibitors for breast cancer-Pharmacophore guided molecular modelling studies. - Shailima Rampogu; Shraddha Parate; Saravanan Parameswaran; Chanin Park; Ayoung Baek; Minky Son; YoHan Park; Seok Ju Park; Keun Woo Lee (Comput. Biol. Chem., 2019)

Identification of Novel Scaffolds with Dual Role as Antiepileptic and Anti-Breast Cancer. - 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 (IEEE ACM Trans. Comput. Biol. Bioinform., 2019)

Short communication for targeting natural compounds against HER2 kinase domain as potential anticancer drugs applying pharmacophore based molecular modelling approaches- part 2. - Shailima Rampogu; Gihwan Lee; Ravinder Doneti; Keun Woo Lee (Comput. Biol. Chem., 2020)

Correction to "Identification of Novel Scaffolds with Dual Role as Antiepileptic and Anti-Breast Cancer". - 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 (IEEE ACM Trans. Comput. Biol. Bioinform., 2020)

A computational drug repurposing approach in identifying the cephalosporin antibiotic and anti-hepatitis C drug derivatives for COVID-19 treatment. - Raj Kumar; Vikas Kumar; Keun Woo Lee (Comput. Biol. Medicine, 2021)

Unravelling the therapeutic potential of marine drugs as SARS-CoV-2 inhibitors: An insight from essential dynamics and free energy landscape. - Shailima Rampogu; Rajesh Goud Gajula; Gihwan Lee; Myeong Ok Kim; Keun Woo Lee (Comput. Biol. Medicine, 2021)

Investigation of Macrocyclic mTOR Modulators of Rapamycin Binding Site via Pharmacoinformatics Approaches. - Shraddha Parate; Vikas Kumar; Jong Chan Hong; Keun Woo Lee (Comput. Biol. Chem., 2023)