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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, [ ... ], Qingcheng Mao

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

Ming Chen, Guangming Zeng, [ ... ], Gengxin Xie

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

Zhongjie Liang, Lianchun Li, [ ... ], Hualiang Jiang

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

Min Xu, Lu Yu, [ ... ], Qiang Huang

Modeling a New Water Channel That Allows SET9 to Dimethylate p53

Qifeng Bai, Yulin Shen, [ ... ], Jinbo Yang

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

Hyun-Ja Jeong, Youngjin Choi, [ ... ], Hyung-Min Kim

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

Qian Li, Xudong Li, [ ... ], Xiaojie Xu

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

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

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

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

Gabriele Möller, Bettina Husen, [ ... ], Jerzy Adamski

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

Molecular Interaction Studies of Trimethoxy Flavone with Human Serum Albumin

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

A Ligand Channel through the G Protein Coupled Receptor Opsin

Peter W. Hildebrand, Patrick Scheerer, [ ... ], Martin Heck

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