Energy transduction and alternating access of the mammalian ABC transporter P-glycoprotein von Verhalen, Brandy, Dastvan, Reza, Thangapandian, Sundarapandian, Peskova, Yelena, Koteiche, Hanane A., Nakamoto, Robert K., Tajkhorshid, Emad, Mchaourab, Hassane S.

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Potent BACE-1 inhibitor design using pharmacophore modeling, in silico screening and molecular docking studies von John, Shalini, Thangapandian, Sundarapandian, Sakkiah, Sugunadevi, Lee, Keun Woo

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Pharmacophore based virtual screening, molecular docking studies to design potent heat shock protein 90 inhibitors von Sakkiah, Sugunadevi, Thangapandian, Sundarapandian, John, Shalini, Lee, Keun Woo

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Development, evaluation and application of 3D QSAR Pharmacophore model in the discovery of potential human renin inhibitors von John, Shalini, Thangapandian, Sundarapandian, Arooj, Mahreen, Hong, Jong Chan, Kim, Kwang Dong, Lee, Keun Woo

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Molecular dynamics simulations of sonic hedgehog-receptor and inhibitor complexes and their applications for potential anticancer agent discovery von Hwang, Swan, Thangapandian, Sundarapandian, Lee, Keun Woo

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Docking-enabled pharmacophore model for histone deacetylase 8 inhibitors and its application in anti-cancer drug discovery von Sundarapandian, Thangapandian, Shalini, John, Sugunadevi, Sakkiah, Woo, Lee Keun

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Molecular modeling study on tunnel behavior in different histone deacetylase isoforms von Thangapandian, Sundarapandian, John, Shalini, Lee, Yuno, Arulalapperumal, Venkatesh, Lee, Keun Woo

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Molecular dynamics simulation study and hybrid pharmacophore model development in human LTA4H inhibitor design von Thangapandian, Sundarapandian, John, Shalini, Arooj, Mahreen, Lee, Keun Woo

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Identification of potent virtual leads to design novel indoleamine 2,3-dioxygenase inhibitors: Pharmacophore modeling and molecular docking studies von John, Shalini, Thangapandian, Sundarapandian, Sakkiah, Sugunadevi, Lee, Keun Woo

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QSAR modeling to design selective histone deacetylase 8 (HDAC8) inhibitors von Cao, Guang Ping, Thangapandian, Sundarapandian, Son, Minky, Kumar, Raj, Choi, Yeung-Joon, Kim, Yongseong, Kwon, Yong Jung, Kim, Hyong-Ha, Suh, Jung-Keun, Lee, Keun Woo

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Structural origins for the loss of catalytic activities of bifunctional human LTA4H revealed through molecular dynamics simulations von Thangapandian, Sundarapandian, John, Shalini, Lazar, Prettina, Choi, Sun, Lee, Keun Woo

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Characterizing Evolution of Binding Sites in P-Glycoprotein through Extended-Ensemble Docking von Kapoor, Karan, Thangapandian, Sundarapandian, Tajkhorshid, Emad

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Comparative molecular modeling study of Arabidopsis NADPH-dependent thioredoxin reductase and its hybrid protein von Lee, Yuno, Kim, Songmi, Lazar, Prettina, Moon, Jeong Chan, Hwang, Swan, Thangapandian, Sundarapandian, Shon, Youngsik, Lee, Kyun Oh, Lee, Sang Yeol, Lee, Keun Woo

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Pharmacophore Modeling and Molecular Dynamics Simulation to Find the Potent Leads for Aurora Kinase B von Sakkiah, Sugunadevi, Thangapandian, Sundarapandian, Kim, Yong-Seong, Lee, Keun-Woo

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Probing Drug-Binding Pathways in P-Glycoprotein with Ensemble Docking von Thangapandian, Sundarapandian, Tajkhorshid, Emad

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Ligand Based Pharmacophore Identification and Molecular Docking Studies for Grb2 Inhibitors von Arulalapperumal, Venkatesh, Sakkiah, Sugunadevi, Thangapandian, Sundarapandian, Lee, Yun-O, Meganathan, Chandrasekaran, Hwang, Swan, Lee, Keun-Woo

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Pharmacophore Modeling, Virtual Screening and Molecular Docking Studies for Identification of New Inverse Agonists of Human Histamine H1 Receptor von Sundarapandian Thangapandian, Navaneethakrishnan Krishnamoorthy, Shalini John, Sugunadevi Sakkiah, Prettina Lazar, 이윤호, 이근우

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Binding Site Recognition and Docking Dynamics of a Single Electron Transport Protein: Cytochrome c2 von Singharoy, Abhishek, Barragan, Angela M, Thangapandian, Sundarapandian, Tajkhorshid, Emad, Schulten, Klaus

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Mass spectrometry-based cross-linking study shows that the Psb28 protein binds to cytochrome b559 in Photosystem II von Weisz, Daniel A, Liu, Haijun, Zhang, Hao, Thangapandian, Sundarapandian, Tajkhorshid, Emad, Gross, Michael L, Pakrasi, Himadri B

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Pharmacophore Mapping and Virtual Screening for SIRT1 Activators von Sugunadevi Sakkiah(Division of Applied Life Science, Navaneethakrishnan Krishnamoorthy(Division of Applied Life Science, Poornima Gajendrarao(Division of Applied Life Science, Sundarapandian Thangapandian(Division of Applied Life Science, 이윤호(Division of Applied Life Science, Songmi Kim(Division of Applied Life Science, Keun Woo Lee(Division of Applied Life Science, 서정근, Hyong-Ha Kim

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