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Molecular structure

Sub-Nanoscale Surface Ruggedness Provides a Water-Tight Seal for Exposed Regions in Soluble Protein Structure

Erica Schulz, Marisa Frechero, Gustavo Appignanesi, Ariel Fernández

published 17 Sep 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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Palmitic Acid Analogs Exhibit Nanomolar Binding Affinity for the HIV-1 CD4 Receptor and Nanomolar Inhibition of gp120-to-CD4 Fusion

Elena E. Paskaleva, Jing Xue, David Y-W. Lee, Alexander Shekhtman, Mario Canki

published 13 Aug 2010

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Rationalisation of the Differences between APOBEC3G Structures from Crystallography and NMR Studies by Molecular Dynamics Simulations

Flavia Autore, Julien R. C. Bergeron, Michael H. Malim, Franca Fraternali, Hendrik Huthoff

published 12 Jul 2010

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Variable Mutation Rates as an Adaptive Strategy in Replicator Populations

Michael Stich, Susanna C. Manrubia, Ester Lázaro

published 17 Jun 2010

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Cholesterol Induces Specific Spatial and Orientational Order in Cholesterol/Phospholipid Membranes

Hector Martinez-Seara, Tomasz Róg, Mikko Karttunen, Ilpo Vattulainen, Ramon Reigada

published 17 Jun 2010

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Optimal Identification of Semi-Rigid Domains in Macromolecules from Molecular Dynamics Simulation

Stefan Bernhard, Frank Noé

published 13 May 2010

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Limitations of Ab Initio Predictions of Peptide Binding to MHC Class II Molecules

Hao Zhang, Peng Wang, Nikitas Papangelopoulos, Ying Xu, Alessandro Sette, Philip E. Bourne, Ole Lund, Julia Ponomarenko, Morten Nielsen, Bjoern Peters

published 17 Feb 2010

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How Cholesterol Constrains Glycolipid Conformation for Optimal Recognition of Alzheimer's β Amyloid Peptide (Aβ_1-40)

Nouara Yahi, Anaïs Aulas, Jacques Fantini

published 05 Feb 2010

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Predicting the Antigenic Structure of the Pandemic (H1N1) 2009 Influenza Virus Hemagglutinin

Manabu Igarashi, Kimihito Ito, Reiko Yoshida, Daisuke Tomabechi, Hiroshi Kida, Ayato Takada

published 01 Jan 2010

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Generating Triangulated Macromolecular Surfaces by Euclidean Distance Transform

Dong Xu, Yang Zhang

published 02 Dec 2009

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Structure of an Odorant-Binding Protein from the Mosquito Aedes aegypti Suggests a Binding Pocket Covered by a pH-Sensitive “Lid”

Ney Ribeiro Leite, Renata Krogh, Wei Xu, Yuko Ishida, Jorge Iulek, Walter S. Leal, Glaucius Oliva

published 26 Nov 2009

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Catalytic Water Co-Existing with a Product Peptide in the Active Site of HIV-1 Protease Revealed by X-Ray Structure Analysis

Vishal Prashar, Subhash Bihani, Amit Das, Jean-Luc Ferrer, Madhusoodan Hosur

published 17 Nov 2009

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