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Molecular structure

Crystal Structures of Human Pyridoxal Kinase in Complex with the Neurotoxins, Ginkgotoxin and Theophylline: Insights into Pyridoxal Kinase Inhibition

Amit K. Gandhi, Jigar V. Desai, [ ... ], Martin K. Safo

Identifying Human Kinase-Specific Protein Phosphorylation Sites by Integrating Heterogeneous Information from Various Sources

Tingting Li, Pufeng Du, Nanfang Xu

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

Carla Coltharp, Rene P. Kessler, Jie Xiao

Computational Study of a Model System of Enzyme-Mediated [4+2] Cycloaddition Reaction

Evgeniy G. Gordeev, Valentine P. Ananikov

A deep graph convolutional neural network architecture for graph classification

Yuchen Zhou, Hongtao Huo, Zhiwen Hou, Fanliang Bu

Computer-Aided Lead Optimization: Improved Small-Molecule Inhibitor of the Zinc Endopeptidase of Botulinum Neurotoxin Serotype A

Jing Tang, Jewn Giew Park, [ ... ], Yuan-Ping Pang

How do SMA-linked mutations of SMN1 lead to structural/functional deficiency of the SMA protein?

Wei Li

The Structure of the NPC1L1 N-Terminal Domain in a Closed Conformation

Hyock Joo Kwon, Maya Palnitkar, Johann Deisenhofer

Normal-Mode-Analysis–Monitored Energy Minimization Procedure for Generating Small–Molecule Bound Conformations

Qi Wang, Yuan-Ping Pang

Polarized Raman Anisotropic Response of Collagen in Tendon: Towards 3D Orientation Mapping of Collagen in Tissues

Leonardo Galvis, John W. C. Dunlop, [ ... ], Admir Masic

Sirt5 Deacylation Activities Show Differential Sensitivities to Nicotinamide Inhibition

Frank Fischer, Melanie Gertz, [ ... ], Clemens Steegborn

Identification of Inhibitors against Mycobacterium tuberculosis Thiamin Phosphate Synthase, an Important Target for the Development of Anti-TB Drugs

Garima Khare, Ritika Kar, Anil K. Tyagi

X-ray Structure and Molecular Dynamics Simulations of Endoglucanase 3 from Trichoderma harzianum: Structural Organization and Substrate Recognition by Endoglucanases That Lack Cellulose Binding Module

Érica T. Prates, Ivana Stankovic, [ ... ], Munir S. Skaf

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