Molecular Dynamics of Proteins

Molecular dynamics refers to a computer simulation method that enables the study of physical movements of molecules and atoms. Here is the latest research on molecular dynamics simulation of proteins.

June 27, 2020
Open Access

Gas Sensing by Bacterial H-NOX Proteins: An MD Study

Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry
Ahmed M RozzaJulianna Oláh
July 1, 2020

Identification of potential inhibitors against the TGF-β/BMPs-Activin receptor-like kinase 1 signal pathway

Current Computer-aided Drug Design
Miao-Miao WuJin-Ku Bao
June 27, 2020
Review
Open Access

Structure and Dynamics in the ATG8 Family From Experimental to Computational Techniques

Frontiers in Cell and Developmental Biology
Valentina SoraElena Papaleo
June 25, 2020
Open Access

Asymmetry between Activators and Deactivators in Functional Protein Networks

Scientific Reports
Ammar TareenRanjan Mukhopadhyay
June 25, 2020
Open Access

Shielding and Beyond: The Roles of Glycans in SARS-CoV-2 Spike Protein

BioRxiv : the Preprint Server for Biology
Lorenzo CasalinoRommie E Amaro
June 27, 2020

Detection of cellular G-quadruplex by using a loop structure as a structural determinant

Biochemical and Biophysical Research Communications
Hisao MasaiRino Fukatsu
July 1, 2020

Activation of the G-Protein-Coupled Receptor Rhodopsin by Water

Angewandte Chemie
Udeep ChawlaMichael F Brown
June 26, 2020
Open Access

Cellular and Molecular Targets of Waterbuck Repellent Blend Odors in Antennae of Glossina fuscipes fuscipes Newstead, 1910

Frontiers in Cellular Neuroscience
Souleymane DialloMerid N Getahun
July 1, 2020

Vibrational Spectroscopic Map, Vibrational Spectroscopy, and Intermolecular Interaction

Chemical Reviews
Carlos R BaizMartin T Zanni
July 1, 2020

Mechanism of β-arrestin recruitment by the μ-opioid G protein-coupled receptor

Proceedings of the National Academy of Sciences of the United States of America
Amirhossein MafiWilliam A Goddard
July 2, 2020

Development of triple mutant T790M/C797S allosteric EGFR inhibitors: a computational approach

Journal of Biomolecular Structure & Dynamics
Kshipra S KarnikPravin S Wakte
June 25, 2020
Preprint
Open Access

The SERCA residue Glu340 mediates inter-domain communication that guides Ca2+ transport

BioRxiv : the Preprint Server for Biology
J. D. ClausenMaike Bublitz
June 27, 2020

An artificial hemoprotein with inducible peroxidase- and monooxygenase-like activities

Chemistry : a European Journal
Jean-Pierre MahyRémy Ricoux
June 25, 2020
Open Access

In-silico investigation of phytochemicals from Asparagus racemosus as plausible antiviral agent in COVID-19

Journal of Biomolecular Structure & Dynamics
Rupesh V ChikhaleShailendra S Gurav
June 27, 2020

Novel Toxin-antitoxin System Xn-mazEF from Xenorhabdus nematophi-la: Identification, Characterization and Functional Exploration

Current Computer-aided Drug Design
Jogendra Singh NimJitendra Singh Rathore

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