Molecular dynamics simulations of sonic hedgehog-receptor and inhibitor complexes and their applications for potential anticancer agent discovery.

by Swan Hwang, Sundarapandian Thangapandian, Keun Woo Lee
Published 2013-01-01

Molecular dynamics simulation study and hybrid pharmacophore model development in human LTA4H inhibitor design.

by Sundarapandian Thangapandian, Shalini John, Mahreen Arooj, Keun Woo Lee
Published 2012-01-01

Structural origins for the loss of catalytic activities of bifunctional human LTA4H revealed through molecular dynamics simulations.

by Sundarapandian Thangapandian, Shalini John, Prettina Lazar, Sun Choi, Keun Woo Lee
Published 2012-01-01

Molecular modeling study on tunnel behavior in different histone deacetylase isoforms.

by Sundarapandian Thangapandian, Shalini John, Yuno Lee, Venkatesh Arulalapperumal, Keun Woo Lee
Published 2012-01-01

Dynamic Structure-Based Pharmacophore Model Development: A New and Effective Addition in the Histone Deacetylase 8 (HDAC8) Inhibitor Discovery

by Keun Woo Lee, Songmi Kim, Sundarapandian Thangapandian, Yuno Lee, Shalini John
Published 2011-12-01

3D QSAR Pharmacophore Modeling, in Silico Screening, and Density Functional Theory (DFT) Approaches for Identification of Human Chymase Inhibitors

by Keun Woo Lee, Mahreen Arooj, Sundarapandian Thangapandian, Shalini John, Swan Hwang, Jong Keun Park
Published 2011-12-01

Comparative molecular modeling study of Arabidopsis NADPH-dependent thioredoxin reductase and its hybrid protein.

by Yuno Lee, Songmi Kim, Prettina Lazar, Jeong Chan Moon, Swan Hwang, Sundarapandian Thangapandian, Youngsik Shon, Kyun Oh Lee, Sang Yeol Lee, Keun Woo Lee
Published 2012-01-01