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Crystal structure

Sequence, Structure and Ligand Binding Evolution of Rhodopsin-Like G Protein-Coupled Receptors: A Crystal Structure-Based Phylogenetic Analysis

Steffen Wolf, Stefan Grünewald

Electrostatic Contribution of Surface Charge Residues to the Stability of a Thermophilic Protein: Benchmarking Experimental and Predicted pKa Values

Chi-Ho Chan, Cecily C. Wilbanks, George I. Makhatadze, Kam-Bo Wong

Glycine Insertion Makes Yellow Fluorescent Protein Sensitive to Hydrostatic Pressure

Tomonobu M. Watanabe, Katsumi Imada, [ ... ], Toshio Yanagida

Structural and Functional Characterization of Human Peripheral Nervous System Myelin Protein P2

Viivi Majava, Eugenia Polverini, [ ... ], Petri Kursula

Discovery of Selective Inhibitors Against EBNA1 via High Throughput In Silico Virtual Screening

Ning Li, Scott Thompson, [ ... ], Paul M. Lieberman

Naegleria fowleri: Protein structures to facilitate drug discovery for the deadly, pathogenic free-living amoeba

Logan Tillery, Kayleigh Barrett, [ ... ], Wesley C. Van Voorhis

Towards Ligand Docking Including Explicit Interface Water Molecules

Gordon Lemmon, Jens Meiler

Biochemical Properties of Ectoine Hydroxylases from Extremophiles and Their Wider Taxonomic Distribution among Microorganisms

Nils Widderich, Astrid Höppner, [ ... ], Erhard Bremer

Bound Water at Protein-Protein Interfaces: Partners, Roles and Hydrophobic Bubbles as a Conserved Motif

Mostafa H. Ahmed, Francesca Spyrakis, [ ... ], Glen E. Kellogg

Identification of Anti-Malarial Compounds as Novel Antagonists to Chemokine Receptor CXCR4 in Pancreatic Cancer Cells

Joseph Kim, M. L. Richard Yip, [ ... ], Nagarajan Vaidehi

Stability Mechanisms of a Thermophilic Laccase Probed by Molecular Dynamics

Niels J. Christensen, Kasper P. Kepp

Discovery of Novel Hepatitis C Virus NS5B Polymerase Inhibitors by Combining Random Forest, Multiple e-Pharmacophore Modeling and Docking

Yu Wei, Jinlong Li, [ ... ], Jianping Lin

Molecular Modeling of the Human Hemoglobin-Haptoglobin Complex Sheds Light on the Protective Mechanisms of Haptoglobin

Chanin Nantasenamat, Virapong Prachayasittikul, Leif Bulow

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