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Crystallography

Structural and Functional Elucidation of Yeast Lanosterol 14α-Demethylase in Complex with Agrochemical Antifungals

Joel D. A. Tyndall, Manya Sabherwal, [ ... ], Brian C. Monk

Crystal Structure of Chitinase ChiW from Paenibacillus sp. str. FPU-7 Reveals a Novel Type of Bacterial Cell-Surface-Expressed Multi-Modular Enzyme Machinery

Takafumi Itoh, Takao Hibi, [ ... ], Hisashi Kimoto

Mapping Cholesterol Interaction Sites on Serotonin Transporter through Coarse-Grained Molecular Dynamics

Mariarosaria Ferraro, Matteo Masetti, [ ... ], Giovanni Bottegoni

Identification of a Novel Inhibitory Allosteric Site in p38α

Patricia Gomez-Gutierrez, Pedro M. Campos, Miguel Vega, Juan J. Perez

The Open Form Inducer Approach for Structure-Based Drug Design

Daniel Ken Inaoka, Maiko Iida, [ ... ], Shigeharu Harada

Crystal Structures of Group B Streptococcus Glyceraldehyde-3-Phosphate Dehydrogenase: Apo-Form, Binary and Ternary Complexes

Norbert Schormann, Chapelle A. Ayres, [ ... ], Debasish Chattopadhyay

ATP Hydrolysis Induced Conformational Changes in the Vitamin B₁₂ Transporter BtuCD Revealed by MD Simulations

Chao Pan, Jingwei Weng, Wenning Wang

Crystal Structure and Pyridoxal 5-Phosphate Binding Property of Lysine Decarboxylase from Selenomonas ruminantium

Hye-Young Sagong, Hyeoncheol Francis Son, [ ... ], Kyung-Jin Kim

Exploring Molecular Mechanisms of Paradoxical Activation in the BRAF Kinase Dimers: Atomistic Simulations of Conformational Dynamics and Modeling of Allosteric Communication Networks and Signaling Pathways

Amanda Tse, Gennady M. Verkhivker

Characterisation of a New Family of Carboxyl Esterases with an OsmC Domain

Mai-Britt V. Jensen, Louise E. Horsfall, [ ... ], Susan J. Rosser

gmos: Rapid Detection of Genome Mosaicism over Short Evolutionary Distances

Mirjana Domazet-Lošo, Tomislav Domazet-Lošo

Comparative Binding Analysis of Dipeptidyl Peptidase IV (DPP-4) with Antidiabetic Drugs – An Ab Initio Fragment Molecular Orbital Study

Sundaram Arulmozhiraja, Naoya Matsuo, [ ... ], Hiroaki Tokiwa

ATP-Competitive MLKL Binders Have No Functional Impact on Necroptosis

Bin Ma, Doug Marcotte, [ ... ], Laura F. Silvian

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