Works in Journal of Biomolecular Structure & Dynamics, 2020, Vol 38, Issue 8

Results: 27

Correction.

Published in:: 2020
Publication type:: Correction Notice

Structure and dynamics of inactive and active MARK4: conformational switching through the activation process.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 8, p. 2468, doi. 10.1080/07391102.2019.1655479

By:

Ahrari, Sajjad;
Mogharrab, Navid;
Navapour, Leila

Publication type:

Article

Structural and dynamic studies provide insights into specificity and allosteric regulation of ribonuclease as, a key enzyme in mycobacterial virulence.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 8, p. 2455, doi. 10.1080/07391102.2019.1643786

By:

Calvanese, Luisa;
Squeglia, Flavia;
Romano, Maria;
D'Auria, Gabriella;
Falcigno, Lucia;
Berisio, Rita

Publication type:

Article

Energetically optimized pharmacophore modeling to identify dual negative allosteric modulators against group I mGluRs in neurodegenerative diseases.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 8, p. 2326, doi. 10.1080/07391102.2019.1640794

By:

Prabhu, Sitrarasu Vijaya;
Singh, Sanjeev Kumar

Publication type:

Article

Solution structure, dynamics and function investigation of Kringle domain of human receptor tyrosine kinase-like orphan receptor 1.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 8, p. 2229, doi. 10.1080/07391102.2019.1635914

By:

Ma, Xiaofang;
Liu, Bin;
Yang, Jiahui;
Hu, Kaifeng

Publication type:

Article

Inhibition of seryl tRNA synthetase by seryl nucleoside moiety (SB-217452) of albomycin antibiotic.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 8, p. 2440, doi. 10.1080/07391102.2019.1635912

By:

Saha, Amrita;
Dutta, Saheb;
Nandi, Nilashis

Publication type:

Article

Discovery of novel and highly selective PI3Kδ inhibitors based on the p110δ crystal structure.

Published in:

2020

By:

Jia, Wen-Qing;
Liu, Ya-Ya;
Feng, Xiao-Yan;
Xu, Wei-Ren;
Cheng, Xian-Chao

Publication type:

Letter

Biophysical interactions, docking studies and cytotoxic potential of a novel propofol-linolenate: a multi-technique approach.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 8, p. 2389, doi. 10.1080/07391102.2019.1634643

By:

Alanazi, Amer M.;
Khan, Azmat Ali;
Rehman, Md. Tabish;
Jabeen, Mumtaz;
Algrain, Nasir;
Baig, Mohammad Hassan

Publication type:

Article

The impact of long-distance mutations on the Ω-loop conformation in TEM type β-lactamases.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 8, p. 2369, doi. 10.1080/07391102.2019.1634642

By:

Shcherbinin, Dmitrii;
Veselovsky, Alexander;
Rubtsova, Maya;
Grigorenko, Vitaly;
Egorov, Alexey

Publication type:

Article

Identification of the potential biological target of N-benzenesulfonyl-1,2,3,4-tetrahydroquinoline compounds active against gram-positive and gram-negative bacteria.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 8, p. 2412, doi. 10.1080/07391102.2019.1633410

By:

Martinez, Sol R.;
Pavani, Christiane C.;
Baptista, Mauricio S.;
Becerra, María C.;
Quevedo, Mario A.;
Ribone, Sergio R.

Publication type:

Article

Metal binding and conformational studies of the calcium binding domain of NADPH oxidase 5 reveal its similarity and difference to calmodulin.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 8, p. 2352, doi. 10.1080/07391102.2019.1633409

By:

Wei, Chin-Chuan;
Fabry, Emily;
Hay, Evan;
Lloyd, Laura;
Kaufman, Nichole;
Yang, Ya-Ping;
Stuehr, Dennis J.

Publication type:

Article

Models for skin and brain penetration of major components from essential oils used in aromatherapy for dementia patients.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 8, p. 2402, doi. 10.1080/07391102.2019.1633408

By:

Agatonovic-Kustrin, Snezana;
Chan, Chloe Ke Yi;
Gegechkori, Vladimir;
Morton, David W.

Publication type:

Article

Structural analysis, molecular docking and molecular dynamics simulations of G-protein-coupled receptor (kisspeptin) in fish.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 8, p. 2422, doi. 10.1080/07391102.2019.1633407

By:

Rather, Mohd Ashraf;
Dutta, Subhajit;
Guttula, Praveen Kumar;
Dhandare, Bhushan C.;
Yusufzai, S. I.;
Zafar, Mehar Imran

Publication type:

Article

A mechanistic approach to understand the allosteric reverse signaling by selective and trapping poly(ADP-ribose) polymerase 1 (PARP-1) inhibitors.

Published in:

2020

By:

Kumar, Chandan;
P. T. V., Lakshmi;
Arunachalam, Annamalai

Publication type:

Letter

Ligand screening to pre-miRNA 149 G-quadruplex investigated by molecular dynamics.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 8, p. 2276, doi. 10.1080/07391102.2019.1632743

By:

Carvalho, Josué;
Santos, Tiago;
Carrilho, Rui;
Sousa, Fani;
Salgado, Gilmar F.;
Queiroz, João António;
Cruz, Carla

Publication type:

Article

The interaction between human serum albumin and antidiabetic agent – exenatide: determination of the mechanism binding and effect on the protein conformation by fluorescence and circular dichroism techniques - Part I.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 8, p. 2267, doi. 10.1080/07391102.2019.1630007

By:

Śliwińska-Hill, Urszula;
Wiglusz, Katarzyna

Publication type:

Article

Analyzing aggregation propensities of clinically relevant PTEN mutants: a new culprit in pathogenesis of cancer and other PTENopathies.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 8, p. 2253, doi. 10.1080/07391102.2019.1630005

By:

Palumbo, Emily;
Zhao, Bi;
Xue, Bin;
Uversky, Vladimir N.;
Davé, Vrushank

Publication type:

Article

Edaravone inhibits the conformational transition of amyloid-β42: insights from molecular dynamics simulations.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 8, p. 2377, doi. 10.1080/07391102.2019.1632225

By:

Liu, Fufeng;
Ma, Zheng;
Sang, Jingcheng;
Lu, Fuping

Publication type:

Article

Identification of potential Aurora kinase-C protein inhibitors: an amalgamation of energy minimization, virtual screening, prime MMGBSA and AutoDock.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 8, p. 2314, doi. 10.1080/07391102.2019.1630318

By:

Bathula, Revanth;
Lanka, Goverdhan;
Muddagoni, Narasimha;
Dasari, Mahendar;
Nakkala, Sravanthi;
Bhargavi, Manan;
Somadi, Gururaj;
Sivan, Sree Kanth;
Rajender Potlapally, Sarita

Publication type:

Article

In-silico studies on conformational stability of flagellin–receptor complexes.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 8, p. 2240, doi. 10.1080/07391102.2019.1630317

By:

Dutta, Sutapa;
Ghosh, Mahua;
Chakrabarti, J.

Publication type:

Article

Study of the influence of the ionic strength on complex-formation of ethidium bromide with poly(rA)-poly(rU).

Published in:

2020

By:

Vardevanyan, Poghos O.;
Antonyan, Ara P.;
Parsadanyan, Marine A.;
Shahinyan, Mariam A.

Publication type:

Letter

The consequences of adopting therapeutic luminophore azapodophyllotoxin into BSA: a molecular regulator to control emissive population of two tryptophan residues in carrier protein.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 8, p. 2338, doi. 10.1080/07391102.2019.1630320

By:

Mukherjee, Soham;
Ganorkar, Kapil;
Gupta, Smruti;
Kumar, Ajay;
Singh, Anuja;
Ghosh, Sujit Kumar

Publication type:

Article

Design and development of novel therapeutics for coronary heart disease treatment based on cholesteryl ester transfer protein inhibition – in silico approach.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 8, p. 2304, doi. 10.1080/07391102.2019.1630319

By:

Kostić, Tomislav;
Deljanin Ilić, Marina;
Perišić, Zoran;
Milić, Dragan;
Đorđević, Miodrag;
Golubović, Mladjan;
Koraćević, Goran;
Šalinger Martinović, Sonja;
Ćirić Zdravković, Snežana;
Živić, Saša;
Lazarević, Milan;
Stanojević, Dragana;
Dakić, Sonja;
Lilić, Jelena;
Veselinović, Aleksandar

Publication type:

Article

Theoretical investigation insights into the temperature triggered tegafur anticancer drug release from the surface of graphene oxide nanosheet.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 8, p. 2287, doi. 10.1080/07391102.2019.1630004

By:

Shahabi, Mahnaz;
Raissi, Heidar

Publication type:

Article

Dynamic and structural insights into tick serpin from Ixodes ricinus.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 8, p. 2296, doi. 10.1080/07391102.2019.1630003

By:

Pongprayoon, Prapasiri;
Niramitranon, Jitti;
Kaewhom, Phaitoon;
Kaewmongkol, Sarawan;
Suwan, Eukote;
Stich, Roger W.;
Jittapalapong, Sathaporn

Publication type:

Article

Some new anticancer platinum complexes of dithiocarbamate derivatives against human colorectal and pancreatic cell lines.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 8, p. 2215, doi. 10.1080/07391102.2019.1627909

By:

Hosseinzadeh, Soudeh;
Eslami Moghadam, Mahboube;
Sheshmani, Shabnam;
Shahvelayati, Ashraf S.

Publication type:

Article

Effect of aqueous medium on low-frequency dynamics, chemical activity and physical properties of a spherical virus.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 8, p. 2207, doi. 10.1080/07391102.2019.1626286

By:

Tiwari, Chetna;
Sharma, Vaishali;
Jha, Prafulla K.;
Pratap, Arun

Publication type:

Article