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Molecular structure

Reaction Trajectory Revealed by a Joint Analysis of Protein Data Bank

Zhong Ren

Reassessment of the Unique Mode of Binding between Angiotensin II Type 1 Receptor and Their Blockers

Shin-Ichiro Miura, Naoki Nakao, [ ... ], Sadashiva S. Karnik

Inference of Structure Ensembles of Flexible Biomolecules from Sparse, Averaged Data

Simon Olsson, Jes Frellsen, [ ... ], Thomas Hamelryck

Complexes of Neutralizing and Non-Neutralizing Affinity Matured Fabs with a Mimetic of the Internal Trimeric Coiled-Coil of HIV-1 gp41

Elena Gustchina, Mi Li, [ ... ], Alexander Wlodawer

Solution and Crystallographic Structures of the Central Region of the Phosphoprotein from Human Metapneumovirus

Cedric Leyrat, Max Renner, Karl Harlos, Jonathan M. Grimes

Modeling the Structure of RNA Molecules with Small-Angle X-Ray Scattering Data

Michal Jan Gajda, Denise Martinez Zapien, Emiko Uchikawa, Anne-Catherine Dock-Bregeon

SWEETLEAD: an In Silico Database of Approved Drugs, Regulated Chemicals, and Herbal Isolates for Computer-Aided Drug Discovery

Paul A. Novick, Oscar F. Ortiz, [ ... ], Vijay S. Pande

Substrate and Inhibitor Specificity of the Type II p21-Activated Kinase, PAK6

Jia Gao, Byung Hak Ha, [ ... ], Titus J. Boggon

Molecular Characterization of Monoclonal Antibodies that Inhibit Acetylcholinesterase by Targeting the Peripheral Site and Backdoor Region

Yves Bourne, Ludovic Renault, [ ... ], Pascale Marchot

Structural Characterization of the Binding Interactions of Various Endogenous Estrogen Metabolites with Human Estrogen Receptor α and β Subtypes: A Molecular Modeling Study

Pan Wang, Campbell McInnes, Bao Ting Zhu

High Resolution Crystal Structure of the Grb2 SH2 Domain with a Phosphopeptide Derived from CD28

Kunitake Higo, Teikichi Ikura, [ ... ], Nobutoshi Ito

The Structure of Neuronal Calcium Sensor-1 in Solution Revealed by Molecular Dynamics Simulations

Luca Bellucci, Stefano Corni, Rosa Di Felice, Emanuele Paci

Solvent Dependency of the UV-Vis Spectrum of Indenoisoquinolines: Role of Keto-Oxygens as Polarity Interaction Probes

Andrea Coletta, Silvia Castelli, [ ... ], Alessandro Desideri

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