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Molecular structure

Crystal Structure of Yeast DNA Polymerase ε Catalytic Domain

Rinku Jain, Kanagalaghatta R. Rajashankar, Angeliki Buku, Robert E. Johnson, Louise Prakash, Satya Prakash, Aneel K. Aggarwal

published 14 Apr 2014

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Insight into the Interactions between Novel Isoquinolin-1,3-Dione Derivatives and Cyclin-Dependent Kinase 4 Combining QSAR and Molecular Docking

Junxia Zheng, Hao Kong, James M. Wilson, Jialiang Guo, Yiqun Chang, Mengjia Yang, Gaokeng Xiao, Pinghua Sun

published 10 Apr 2014

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Modular Hyperthermostable Bacterial Endo-β-1,4-Mannanase: Molecular Shape, Flexibility and Temperature-Dependent Conformational Changes

Viviam M. da Silva, Francieli Colussi, Mario de Oliveira Neto, Antonio S. K. Braz, Fabio M. Squina, Cristiano L. P. Oliveira, Wanius Garcia

published 26 Mar 2014

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Molecular Topology as Novel Strategy for Discovery of Drugs with Aβ Lowering and Anti-Aggregation Dual Activities for Alzheimer’s Disease

Jun Wang, David Land, Kenjiro Ono, Jorge Galvez, Wei Zhao, Prashant Vempati, John W. Steele, Alice Cheng, Masahito Yamada, Samara Levine, Paolo Mazzola, Giulio M. Pasinetti

published 26 Mar 2014

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Molecular Recognition of the Neurotransmitter Acetylcholine by an Acetylcholine Binding Protein Reveals Determinants of Binding to Nicotinic Acetylcholine Receptors

Jeppe A. Olsen, Thomas Balle, Michael Gajhede, Philip K. Ahring, Jette S. Kastrup

published 17 Mar 2014

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Breaking of Icosahedral Symmetry: C₆₀ to C₇₀

Mark Bodner, Jiri Patera, Marzena Szajewska

published 05 Mar 2014

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Variation in the Helical Structure of Native Collagen

Joseph P. R. O. Orgel, Anton V. Persikov, Olga Antipova

published 24 Feb 2014

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Structural Diversity and Initial Oligomerization of PrP106–126 Studied by Replica-Exchange and Conventional Molecular Dynamics Simulations

Lulu Ning, Jingjing Guo, Qifeng Bai, Nengzhi Jin, Huanxiang Liu, Xiaojun Yao

published 19 Feb 2014

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Hybrid RHF/MP2 Geometry Optimizations with the Effective Fragment Molecular Orbital Method

Anders S. Christensen, Casper Steinmann, Dmitri G. Fedorov, Jan H. Jensen

published 18 Feb 2014

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Automatic NMR-Based Identification of Chemical Reaction Types in Mixtures of Co-Occurring Reactions

Diogo A. R. S. Latino, João Aires-de-Sousa

published 13 Feb 2014

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Role of Tryptophan Side Chain Dynamics on the Trp-Cage Mini-Protein Folding Studied by Molecular Dynamics Simulations

Srinivasaraghavan Kannan, Martin Zacharias

published 07 Feb 2014

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Crystal Structures of HIV-1 gp120 Envelope Glycoprotein in Complex with NBD Analogues That Target the CD4-Binding Site

Young Do Kwon, Judith M. LaLonde, Yongping Yang, Mark A. Elban, Akihiro Sugawara, Joel R. Courter, David M. Jones, Amos B. Smith III, Asim K. Debnath, Peter D. Kwong

published 28 Jan 2014

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The Neutron Structure of Urate Oxidase Resolves a Long-Standing Mechanistic Conundrum and Reveals Unexpected Changes in Protonation

Esko Oksanen, Matthew P. Blakeley, Mohamed El-Hajji, Ulf Ryde, Monika Budayova-Spano

published 23 Jan 2014

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