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Molecular structure

Identification of PPARgamma Partial Agonists of Natural Origin (II): In Silico Prediction in Natural Extracts with Known Antidiabetic Activity

Laura Guasch, Esther Sala, [ ... ], Santiago Garcia-Vallvé

Identification of Inhibitor Binding Site in Human Sirtuin 2 Using Molecular Docking and Dynamics Simulations

Sugunadevi Sakkiah, Mahreen Arooj, [ ... ], Keun Woo Lee

The structure of Human Microplasmin in Complex with Textilinin-1, an Aprotinin-like Inhibitor from the Australian Brown Snake

Emma-Karin I. Millers, Lambro A. Johnson, [ ... ], Luke W. Guddat

Structural Insights into the Dual Strategy of Recognition by Peptidoglycan Recognition Protein, PGRP-S: Structure of the Ternary Complex of PGRP-S with Lipopolysaccharide and Stearic Acid

Pradeep Sharma, Divya Dube, [ ... ], Tej P. Singh

Easy DNA Modeling and More with GraphiteLifeExplorer

Samuel Hornus, Bruno Lévy, Damien Larivière, Eric Fourmentin

The Mutation V42M Distorts the Compact Packing of the Human Gamma-S-Crystallin Molecule, Resulting in Congenital Cataract

Venkata Pulla Rao Vendra, Sushil Chandani, Dorairajan Balasubramanian

A Computational Methodology to Screen Activities of Enzyme Variants

Martin R. Hediger, Luca De Vico, [ ... ], Jan H. Jensen

Bioenergetic Strategy for the Biodegradation of p-Cresol by the Unicellular Green Alga Scenedesmus obliquus

Aikaterini Papazi, Konstantinos Assimakopoulos, Kiriakos Kotzabasis

Accurate Construction of Photoactivated Localization Microscopy (PALM) Images for Quantitative Measurements

Carla Coltharp, Rene P. Kessler, Jie Xiao

Chemoinformatic Analysis of GRAS (Generally Recognized as Safe) Flavor Chemicals and Natural Products

José L. Medina-Franco, Karina Martínez-Mayorga, Terry L. Peppard, Alberto Del Rio

Structural Analyses of a Constitutively Active Mutant of Exchange Protein Directly Activated by cAMP

Mark A. White, Sheng Li, [ ... ], Xiaodong Cheng

The Role of Water in Activation Mechanism of Human N-Formyl Peptide Receptor 1 (FPR1) Based on Molecular Dynamics Simulations

Shuguang Yuan, Umesh Ghoshdastider, [ ... ], Slawomir Filipek

Limits of Ligand Selectivity from Docking to Models: In Silico Screening for A₁ Adenosine Receptor Antagonists

Peter Kolb, Khai Phan, [ ... ], Kenneth A. Jacobson

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