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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

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

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, [ ... ], Mario Canki

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

Flavia Autore, Julien R. C. Bergeron, [ ... ], Hendrik Huthoff

Variable Mutation Rates as an Adaptive Strategy in Replicator Populations

Michael Stich, Susanna C. Manrubia, Ester Lázaro

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

Hector Martinez-Seara, Tomasz Róg, [ ... ], Ramon Reigada

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

Stefan Bernhard, Frank Noé

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

Hao Zhang, Peng Wang, [ ... ], Bjoern Peters

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

Nouara Yahi, Anaïs Aulas, Jacques Fantini

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

Manabu Igarashi, Kimihito Ito, [ ... ], Ayato Takada

Generating Triangulated Macromolecular Surfaces by Euclidean Distance Transform

Dong Xu, Yang Zhang

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, [ ... ], Glaucius Oliva

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, [ ... ], Madhusoodan Hosur

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