Results 1 to 10 of about 291,774 (264)

Binding of SARS-CoV Covalent Non-Covalent Inhibitors to the SARS-CoV-2 Papain-Like Protease and Ovarian Tumor Domain Deubiquitinases

Biomolecules, 2021
The urgent need for novel and effective drugs against the SARS-CoV-2 coronavirus pandemic has stimulated research worldwide. The Papain-like protease (PLpro), which is essential for viral replication, shares a similar active site structural architecture ...
Dakshinamurthy Sivakumar, Matthias Stein
doaj   +1 more source

Mononuclear manganese complexes as hydrogen evolving catalysts

Frontiers in Chemistry, 2022
Molecular hydrogen (H2) is one of the pillars of future non-fossil energy supply. In the quest for alternative, non-precious metal catalysts for hydrogen generation to replace platinum, biological systems such as the enzyme hydrogenase serve as a ...
Vishakha Kaim, Meenakshi Joshi, Matthias Stein, Sandeep Kaur-Ghumaan   +3 more
doaj   +1 more source

Chemometric Models of Differential Amino Acids at the Na_vα and Na_vβ Interface of Mammalian Sodium Channel Isoforms

Molecules, 2020
(1) Background: voltage-gated sodium channels (Navs) are integral membrane proteins that allow the sodium ion flux into the excitable cells and initiate the action potential.
Fernando Villa-Diaz, Susana Lopez-Nunez, Jordan E. Ruiz-Castelan, Eduardo Marcos Salinas-Stefanon, Thomas Scior   +4 more
doaj   +1 more source

Evolutionary association of receptor-wide amino acids with G protein–coupling selectivity in aminergic GPCRs

Life Science Alliance, 2022
Evolutionary analyses of aminergic G protein–coupled receptors reveal receptor-wide potential determinants of G protein–coupling selectivity. G protein-coupled receptors (GPCRs) induce signal transduction pathways through coupling to four main subtypes ...
Berkay Selçuk, Ismail Erol, Serdar Durdağı, Ogün Adebali   +3 more
doaj   +1 more source

Mechanism of Diiron Hydrogenase Complexes Controlled by Nature of Bridging Dithiolate Ligand

ChemistryOpen, 2022
Bio‐inorganic complexes inspired by hydrogenase enzymes are designed to catalyze the hydrogen evolution reaction (HER). A series of new diiron hydrogenase mimic complexes with one or two terminal tris(4‐methoxyphenyl)phosphine and different μ‐bridging ...
Dr. Mookan Natarajan, Naveen Kumar, Dr. Meenakshi Joshi, Prof. Dr. Matthias Stein, Dr. Sandeep Kaur‐Ghumaan   +4 more
doaj   +1 more source

Conformational and oligomeric states of SPOP from small-angle X-ray scattering and molecular dynamics simulations

eLife, 2023
Speckle-type POZ protein (SPOP) is a substrate adaptor in the ubiquitin proteasome system, and plays important roles in cell-cycle control, development, and cancer pathogenesis.
F Emil Thomasen, Matthew J Cuneo, Tanja Mittag, Kresten Lindorff-Larsen   +3 more
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Computational Studies of Snake Venom Toxins

Toxins, 2017
Most snake venom toxins are proteins, and participate to envenomation through a diverse array of bioactivities, such as bleeding, inflammation, and pain, cytotoxic, cardiotoxic or neurotoxic effects.
Paola G. Ojeda, David Ramírez, Jans Alzate-Morales, Julio Caballero, Quentin Kaas, Wendy González   +5 more
doaj   +1 more source

Distinct Antifouling Mechanisms on Different Chain Densities of Zwitterionic Polymers

Molecules, 2022
Antifouling polymer coating surfaces are used in widespread industries applications. Zwitterionic polymers have been identified as promising materials in developing polymer coating surfaces.
Clil Regev, Zhongyi Jiang, Roni Kasher, Yifat Miller   +3 more
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Fabrication, Facilitating Gas Permeability, and Molecular Simulations of Porous Hypercrosslinked Polymers Embedding 6FDA-Based Polyimide Mixed-Matrix Membranes

Molecules, 2023
Novel polymers applied in economic membrane technologies are a perennial hot topic in the fields of natural gas purification and O2 enrichment. Herein, novel hypercrosslinked polymers (HCPs) incorporating 6FDA-based polyimide (PI) MMMs were prepared via ...
Chaohua Song, Longfei Peng, Yinhui Li, Yawei Du, Zan Chen, Weixin Li, Cuijia Duan, Biao Yuan, Shuo Yan, Sibudjing Kawi   +9 more
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Deciphering the Mechanism of Inhibition of SERCA1a by Sarcolipin Using Molecular Simulations

Frontiers in Molecular Biosciences, 2021
SERCA1a is an ATPase calcium pump that transports Ca2+ from the cytoplasm to the sarco/endoplasmic reticulum lumen. Sarcolipin (SLN), a transmembrane peptide, regulates the activity of SERCA1a by decreasing its Ca2+ transport rate, but its mechanism of ...
Thomas Barbot, Veronica Beswick, Veronica Beswick, Cédric Montigny, Éric Quiniou, Nadège Jamin, Liliane Mouawad   +6 more
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