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Molecular docking

Predicting P-Glycoprotein-Mediated Drug Transport Based On Support Vector Machine and Three-Dimensional Crystal Structure of P-glycoprotein

Zsolt Bikadi, Istvan Hazai, David Malik, Katalin Jemnitz, Zsuzsa Veres, Peter Hari, Zhanglin Ni, Tip W. Loo, David M. Clarke, Eszter Hazai, Qingcheng Mao

published 04 Oct 2011

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Understanding Lignin-Degrading Reactions of Ligninolytic Enzymes: Binding Affinity and Interactional Profile

Ming Chen, Guangming Zeng, Zhongyang Tan, Min Jiang, Hui Li, Lifeng Liu, Yi Zhu, Zhen Yu, Zhen Wei, Yuanyuan Liu, Gengxin Xie

published 29 Sep 2011

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Molecular Basis of NDM-1, a New Antibiotic Resistance Determinant

Zhongjie Liang, Lianchun Li, Yuanyuan Wang, Limin Chen, Xiangqian Kong, Yao Hong, Lefu Lan, Mingyue Zheng, Cai Guang-Yang, Hong Liu, Xu Shen, Cheng Luo, Keqin Kathy Li, Kaixian Chen, Hualiang Jiang

published 24 Aug 2011

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Predicting Inactive Conformations of Protein Kinases Using Active Structures: Conformational Selection of Type-II Inhibitors

Min Xu, Lu Yu, Bo Wan, Long Yu, Qiang Huang

published 27 Jul 2011

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Modeling a New Water Channel That Allows SET9 to Dimethylate p53

Qifeng Bai, Yulin Shen, Xiaojun Yao, Fang Wang, Yuping Du, Qin Wang, Nengzhi Jin, Jun Hai, Tiejun Hu, Jinbo Yang

published 19 May 2011

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Rosmarinic Acid, Active Component of Dansam-Eum Attenuates Ototoxicity of Cochlear Hair Cells through Blockage of Caspase-1 Activity

Hyun-Ja Jeong, Youngjin Choi, Min-Ho Kim, In-Cheol Kang, Jeong-Han Lee, Channy Park, Raekil Park, Hyung-Min Kim

published 15 Apr 2011

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A Network-Based Multi-Target Computational Estimation Scheme for Anticoagulant Activities of Compounds

Qian Li, Xudong Li, Canghai Li, Lirong Chen, Jun Song, Yalin Tang, Xiaojie Xu

published 22 Mar 2011

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Characterization of a Novel Interaction between Bcl-2 Members Diva and Harakiri

Lorenzo Sborgi, Susana Barrera-Vilarmau, Patricia Obregón, Eva de Alba

published 30 Dec 2010

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Structural Basis for Certain Naturally Occurring Bioflavonoids to Function as Reducing Co-Substrates of Cyclooxygenase I and II

Pan Wang, Hyoung-Woo Bai, Bao Ting Zhu

published 23 Aug 2010

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Species Used for Drug Testing Reveal Different Inhibition Susceptibility for 17beta-Hydroxysteroid Dehydrogenase Type 1

Gabriele Möller, Bettina Husen, Dorota Kowalik, Leena Hirvelä, Dariusz Plewczynski, Leszek Rychlewski, Josef Messinger, Hubert Thole, Jerzy Adamski

published 08 Jun 2010

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The Crystal Structure of PPIL1 Bound to Cyclosporine A Suggests a Binding Mode for a Linear Epitope of the SKIP Protein

Christian M. Stegmann, Reinhard Lührmann, Markus C. Wahl

published 02 Apr 2010

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Molecular Interaction Studies of Trimethoxy Flavone with Human Serum Albumin

Mahesh Gokara, Babu Sudhamalla, Damu G. Amooru, Rajagopal Subramanyam

published 21 Jan 2010

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A Ligand Channel through the G Protein Coupled Receptor Opsin

Peter W. Hildebrand, Patrick Scheerer, Jung Hee Park, Hui-Woog Choe, Ronny Piechnick, Oliver P. Ernst, Klaus Peter Hofmann, Martin Heck

published 05 Feb 2009

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