Editorial: Molecular Dynamics Simulations of Metalloproteins and Metalloenzymes

Código QR

Editorial: Molecular Dynamics Simulations of Metalloproteins and Metalloenzymes

Guardado en:

Detalles Bibliográficos
Autores principales:	Kshatresh Dutta Dubey, Binju Wang, Yubing Si, Syed Tarique Moin
Formato:	article
Lenguaje:	EN
Publicado:	Frontiers Media S.A. 2021
Materias:	metalloenzyemes MD simulation metal ions conformational dynamics and allostery QM/MD simulation metalloproteins Chemistry QD1-999
Acceso en línea:	https://doaj.org/article/192adc126f9e4405ac32b694d11341e3
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!

Ejemplares similares

Editorial: Experiments and Simulations: A Pas de Deux to Unravel Biological Function
por: Maya Topf, et al.
Publicado: (2021)

Multispectroscopic and molecular modeling strategy to explore the interaction of cholest-5-en-7-one with human serum albumin: DFT and Hirshfeld surface analysis
por: Mahboob Alam
Publicado: (2021)

MdBBX21, a B-Box Protein, Positively Regulates Light-Induced Anthocyanin Accumulation in Apple Peel
por: Bo Zhang, et al.
Publicado: (2021)

Molecular Docking and Molecular Dynamic Simulation of 1,5-Benzothiazepine Chalcone Derivative Compounds as Potential Inhibitors for Zika Virus Helicase
por: Neni Frimayanti, et al.
Publicado: (2021)

SAMase of Bacteriophage T3 Inactivates <named-content content-type="genus-species">Escherichia coli</named-content>’s Methionine <italic toggle="yes">S</italic>-Adenosyltransferase by Forming Heteropolymers
por: Hadas Simon-Baram, et al.
Publicado: (2021)

MONOMER UNITS DIFFERENTIATED SOLVATION IN AN ACRYLIC ACID CROSSLINKED POLYELECTROLYTE. A COMBINED HF/MD STUDY&
por: González-Nilo,F. D., et al.
Publicado: (2001)

Repurposing benzimidazole and benzothiazole derivatives as potential inhibitors of SARS-CoV-2: DFT, QSAR, molecular docking, molecular dynamics simulation, and in-silico pharmacokinetic and toxicity studies
por: Ranjan K. Mohapatra, et al.
Publicado: (2021)

Comprehensive Characterization of the Coding and Non-Coding Single Nucleotide Polymorphisms in the Tumor Protein p63 (TP63) Gene Using In Silico Tools
por: Shamima Akter, et al.
Publicado: (2021)

Long-term progression of visual field defects and related factors in medically treated normal tension glaucoma
por: Yoshikawa K, et al.
Publicado: (2018)

Interplay of Trans- and Cis-Interactions of Glycolipids in Membrane Adhesion
por: Batuhan Kav, et al.
Publicado: (2021)

Structural Analysis on the Severe Acute Respiratory Syndrome Coronavirus 2 Non-structural Protein 13 Mutants Revealed Altered Bonding Network With TANK Binding Kinase 1 to Evade Host Immune System
por: Farooq Rashid, et al.
Publicado: (2021)

Cryptography: Cryptography: Perancangan Middleware Web Service Encryptor menggunakan Triple Key MD5. Base64, dan AES
por: Maulyanda Az, et al.
Publicado: (2021)

Three-dimensional Analysis of Nasolabial Soft Tissues While Smiling Using stereophotogrammetry (3dMDTM)
por: Parra,Marcelo, et al.
Publicado: (2019)

A Comprehensive Computational Screening of Phytochemicals Derived from Saudi Medicinal Plants against Human CC Chemokine Receptor 7 to Identify Potential Anti-Cancer Therapeutics
por: Faris Alrumaihi
Publicado: (2021)

QSAR based virtual screening derived identification of a novel hit as a SARS CoV-229E 3CLpro Inhibitor: GA-MLR QSAR modeling supported by molecular Docking, molecular dynamics simulation and MMGBSA calculation approaches
por: R.D. Jawarkar, et al.
Publicado: (2022)

Simulation of pH-Dependent Conformational Transitions in Membrane Proteins: The CLC-ec1 Cl<sup>−</sup>/H<sup>+</sup> Antiporter
por: Ekaterina Kots, et al.
Publicado: (2021)

In silico identification of potential inhibitors with higher potency than bumetanide targeting NKCC1: An important ion co-transporter to treat neurological disorders
por: Arpita Singha Roy, et al.
Publicado: (2021)

Umbrella sampling and double decoupling data for methanol binding to Candida antarctica lipase B
por: Daniel Markthaler, et al.
Publicado: (2021)

Dynamic Application Partitioning and Task-Scheduling Secure Schemes for Biosensor Healthcare Workload in Mobile Edge Cloud
por: Abdullah Lakhan, et al.
Publicado: (2021)

Zinc Induced Aβ<sub>16</sub> Aggregation Modeled by Molecular Dynamics
por: Anna P. Tolstova, et al.
Publicado: (2021)

A Free-Energy Landscape Analysis of Calmodulin Obtained from an NMR Data-Utilized Multi-Scale Divide-and-Conquer Molecular Dynamics Simulation
por: Hiromitsu Shimoyama, et al.
Publicado: (2021)

¿Es tiempo de modificar la vinculación pregrado postgrado en la educación médica chilena? Reflexiones sobre una vía de doble titulación Médico cirujano/Doctor en ciencias médicas
por: Concha M.,Miguel
Publicado: (2017)

Molecular dynamic simulation studies and surface characterization of carbon steel corrosion with changing green inhibitors concentrations and temperatures
por: Amira Hossam Eldin Moustafa, et al.
Publicado: (2022)

N501Y mutation of spike protein in SARS-CoV-2 strengthens its binding to receptor ACE2
por: Fang Tian, et al.
Publicado: (2021)

Molecular Dynamics Simulations Study of the Interactions between Human Dipeptidyl-Peptidase III and Two Substrates
por: Shitao Zhang, et al.
Publicado: (2021)

The clinical effectiveness of tafluprost on Japanese normal-tension glaucoma patients
por: Nomura A, et al.
Publicado: (2018)

Molecular Modeling Studies of <i>N</i>-phenylpyrimidine-4-amine Derivatives for Inhibiting FMS-like Tyrosine Kinase-3
por: Suparna Ghosh, et al.
Publicado: (2021)

Variability of size of the upper jaw molars of the population of Krasnoyarsk taking into account the time vector
por: E. V. Pozovskaya, et al.
Publicado: (2018)

Quantitative Evaluation of the Facial Morphology of a Tolteca Figurine from Mexico using Geometric Morphometric Approaches
por: Starbuck,John M
Publicado: (2014)

New insights into the anti-hepatoma mechanism of Alisol G-metal ions complexes based on c-myc DNA
por: Fei Xu, et al.
Publicado: (2021)

Genome-Wide Analysis of the Glutathione S-Transferase (GST) Genes and Functional Identification of <i>MdGSTU12</i> Reveals the Involvement in the Regulation of Anthocyanin Accumulation in Apple
por: Yu-Wen Zhao, et al.
Publicado: (2021)

Atomic-scale insights into allosteric inhibition and evolutional rescue mechanism of Streptococcus thermophilus Cas9 by the anti-CRISPR protein AcrIIA6
por: Xinyi Li, et al.
Publicado: (2021)

Thermal Performance of Integrated Direct Contact and Vacuum Membrane Distillation Units
por: Alessandra Criscuoli
Publicado: (2021)

Simulation model of the scallop (Argopecten purpuratus) farming in northern Chile: some applications in the decision making process
por: Molina,Renato, et al.
Publicado: (2012)

ERROR SIMULATION IN THE DETERMINATION OF THE FORMATION CONSTANTS OF POLYMER-METAL COMPLEXES (PMC) BY THE LIQUID-PHASE POLYMER-BASED RETENTION (LPR) TECHNIQUE
por: RIVAS,BENRABÉ L, et al.
Publicado: (2004)

Interactive plant simulation modeling for developing an operator training system in a natural gas pressure-regulating station
por: Yongseok Lee, et al.
Publicado: (2017)

Bioinformatic Mapping of Opine-Like Zincophore Biosynthesis in Bacteria
por: Jacqueline R. Morey, et al.
Publicado: (2020)

Mental Simulation to Promote Exercise Intentions and Behaviors
por: Weitan Zhong, et al.
Publicado: (2021)

Ion Dynamics in the Meso-scale 3-D Kelvin–Helmholtz Instability: Perspectives From Test Particle Simulations
por: Xuanye Ma, et al.
Publicado: (2021)

A Man-Made Target Extraction Method Based on Scattering Characteristics Using Multiaspect SAR Data
por: Xiaoyang Yue, et al.
Publicado: (2021)