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Molecular structure

Rapid and Accurate Prediction and Scoring of Water Molecules in Protein Binding Sites

Gregory A. Ross, Garrett M. Morris, Philip C. Biggin

published 01 Mar 2012

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Structural Analysis of the C-Terminal Region (Modules 18–20) of Complement Regulator Factor H (FH)

Hugh P. Morgan, Haydyn D. T. Mertens, Mara Guariento, Christoph Q. Schmidt, Dinesh C. Soares, Dmitri I. Svergun, Andrew P. Herbert, Paul N. Barlow, Jonathan P. Hannan

published 28 Feb 2012

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Systematic Validation of Protein Force Fields against Experimental Data

Kresten Lindorff-Larsen, Paul Maragakis, Stefano Piana, Michael P. Eastwood, Ron O. Dror, David E. Shaw

published 22 Feb 2012

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The Formation and Stabilization of a Novel G-Quadruplex in the 5′-Flanking Region of the Relaxin Gene

Sen Lin, Huiping Gu, Ming Xu, Xiaojie Cui, Youyi Zhang, Wei Gao, Gu Yuan

published 21 Feb 2012

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Ab Initio Calculation of the Zn Isotope Effect in Phosphates, Citrates, and Malates and Applications to Plants and Soil

Toshiyuki Fujii, Francis Albarède

published 17 Feb 2012

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Recognition of Anesthetic Barbiturates by a Protein Binding Site: A High Resolution Structural Analysis

Simon Oakley, L. Sangeetha Vedula, Weiming Bu, Qing Cheng Meng, Jin Xi, Renyu Liu, Roderic G. Eckenhoff, Patrick J. Loll

published 16 Feb 2012

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Structure Based Discovery of Small Molecules to Regulate the Activity of Human Insulin Degrading Enzyme

Bilal Çakir, Onur Dağliyan, Ezgi Dağyildiz, İbrahim Bariş, Ibrahim Halil Kavakli, Seda Kizilel, Metin Türkay

published 15 Feb 2012

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Evidence of the Most Stretchable Egg Sac Silk Stalk, of the European Spider of the Year Meta menardi

Emiliano Lepore, Andrea Marchioro, Marco Isaia, Markus J. Buehler, Nicola M. Pugno

published 08 Feb 2012

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IPET and FETR: Experimental Approach for Studying Molecular Structure Dynamics by Cryo-Electron Tomography of a Single-Molecule Structure

Lei Zhang, Gang Ren

published 24 Jan 2012

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Less Can Be More: RNA-Adapters May Enhance Coding Capacity of Replicators

Folkert K. de Boer, Paulien Hogeweg

published 23 Jan 2012

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Structural Analysis and Stochastic Modelling Suggest a Mechanism for Calmodulin Trapping by CaMKII

Melanie I. Stefan, David P. Marshall, Nicolas Le Novère

published 18 Jan 2012

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The Conformational Transition Pathways of ATP-Binding Cassette Transporter BtuCD Revealed by Targeted Molecular Dynamics Simulation

Jingwei Weng, Kangnian Fan, Wenning Wang

published 17 Jan 2012

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The Location and Nature of General Anesthetic Binding Sites on the Active Conformation of Firefly Luciferase; A Time Resolved Photolabeling Study

Sivananthaperumal Shanmugasundararaj, Simon Lehle, Herve I. Yamodo, S. Shaukat Husain, Claire Tseng, Khanh Nguyen, George H. Addona, Keith W. Miller

published 17 Jan 2012

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