In Silico Renal Clearance Model Using Classical Volsurf Approach. - Munikumar Reddy Doddareddy; Yong Seo Cho; Hun Yeong Koh; Dong Hyun Kim; Ae Nim Pae (J. Chem. Inf. Model., 2006)

New Serotonin 5-HT6 Ligands from Common Feature Pharmacophore Hypotheses. - Hye-Jung Kim; Munikumar Reddy Doddareddy; Hyunah Choo; Yong Seo Cho; Kyoung Tai No; Woo-Kyu Park; Ae Nim Pae (J. Chem. Inf. Model., 2008)

IKKβ inhibitor identification: a multi-filter driven novel scaffold. - Shanthi Nagarajan; Hyunah Choo; Yong Seo Cho; Kye Jung Shin; Kwang-Seok Oh; Byung Lee; Ae Nim Pae (BMC Bioinform., 2010)

Pharmacophore-based virtual screening, biological evaluation and binding mode analysis of a novel protease-activated receptor 2 antagonist. - Nam-Chul Cho; Seoung-Hwan Seo; Dohee Kim; Ji-Sun Shin; Jeongmin Ju; Jihye Seong; Seon Hee Seo; Iiyoun Lee; Kyung-Tae Lee; Yun Kyung Kim; Kyoung Tai No; Ae Nim Pae (J. Comput. Aided Mol. Des., 2016)

In silico probing and biological evaluation of SETDB1/ESET-targeted novel compounds that reduce tri-methylated histone H3K9 (H3K9me3) level. - Insun Park; Yu Jin Hwang; TaeHun Kim; Ambily Nath Indu Viswanath; Ashwini M. Londhe; Seo Yun Jung; Kyoung Mi Sim; Sun-Joon Min; Ji Eun Lee; Jihye Seong; Yun Kyung Kim; Kyoung Tai No; et al. (J. Comput. Aided Mol. Des., 2017)

Discovery of non-peptidic small molecule inhibitors of cyclophilin D as neuroprotective agents in Aβ-induced mitochondrial dysfunction. - Insun Park; Ashwini M. Londhe; Ji Woong Lim; Beoung-Geon Park; Seo Yun Jung; Jae Yeol Lee; Sang Min Lim; Kyoung Tai No; Jiyoun Lee; Ae Nim Pae (J. Comput. Aided Mol. Des., 2017)

Identification of novel discoidin domain receptor 1 (DDR1) inhibitors using E-pharmacophore modeling, structure-based virtual screening, molecular dynamics simulation and MM-GBSA approaches. - Hossam Nada; Kyeong Lee; Lizaveta Gotina; Ae Nim Pae; Ahmed Elkamhawy (Comput. Biol. Medicine, 2022)