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Crystallography

A Molecular Mechanism for Direct Sirtuin Activation by Resveratrol

Melanie Gertz, Giang Thi Tuyet Nguyen, [ ... ], Clemens Steegborn

Benchmarking and Analysis of Protein Docking Performance in Rosetta v3.2

Sidhartha Chaudhury, Monica Berrondo, [ ... ], Jeffrey J. Gray

With a Flick of the Lid: A Novel Trapping Mechanism in Nepenthes gracilis Pitcher Plants

Ulrike Bauer, Bruno Di Giusto, [ ... ], Walter Federle

Timescales of Quartz Crystallization and the Longevity of the Bishop Giant Magma Body

Guilherme A. R. Gualda, Ayla S. Pamukcu, [ ... ], Mark L. Rivers

Crystal Structure of Human AKT1 with an Allosteric Inhibitor Reveals a New Mode of Kinase Inhibition

Wen-I Wu, Walter C. Voegtli, [ ... ], Barbara J. Brandhuber

Serverification of Molecular Modeling Applications: The Rosetta Online Server That Includes Everyone (ROSIE)

Sergey Lyskov, Fang-Chieh Chou, [ ... ], Rhiju Das

Dispensing Processes Impact Apparent Biological Activity as Determined by Computational and Statistical Analyses

Sean Ekins, Joe Olechno, Antony J. Williams

Human Lactate Dehydrogenase A Inhibitors: A Molecular Dynamics Investigation

Yun Shi, B. Mario Pinto

A Parameterized Model of Amylopectin Synthesis Provides Key Insights into the Synthesis of Granular Starch

Alex Chi Wu, Matthew K. Morell, Robert G. Gilbert

Molecular Basis of NDM-1, a New Antibiotic Resistance Determinant

Zhongjie Liang, Lianchun Li, [ ... ], Hualiang Jiang

Single Nucleotide Polymorphisms of Human STING Can Affect Innate Immune Response to Cyclic Dinucleotides

Guanghui Yi, Volker P. Brendel, [ ... ], C. Cheng Kao

A Novel Approach of Dynamic Cross Correlation Analysis on Molecular Dynamics Simulations and Its Application to Ets1 Dimer–DNA Complex

Kota Kasahara, Ikuo Fukuda, Haruki Nakamura

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

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

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