Works in Journal of Biomolecular Structure & Dynamics, 2020, Vol 38, Issue 12

Results: 28

Probing the effect of a plus 1bp frameshift mutation in protein-DNA interface of domestication gene, NAMB1, in wheat.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 12, p. 3633, doi. 10.1080/07391102.2019.1680435

By:

Kaul, Tanushri;
Eswaran, Murugesh;
Ahmad, Shaban;
Thangaraj, Arulprakash;
Jain, Rashmi;
Kaul, Rashmi;
Raman, Nitya Meenakshi;
Bharti, Jyotsna

Publication type:

Article

Evolutionary conservation and structural localizations suggest a physical trace of metabolism's progressive geochronological emergence.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 12, p. 3700, doi. 10.1080/07391102.2019.1679666

By:

Pollack, J. Dennis;
Gerard, David;
Makhatadze, George I.;
Pearl, Dennis K.

Publication type:

Article

Design of fluorinated sialic acid analog inhibitor to H5 hemagglutinin of H5N1 influenza virus through molecular dynamics simulation study.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 12, p. 3504, doi. 10.1080/07391102.2019.1677500

By:

Jeyaram, R. A.;
Radha, C. Anu;
Gromiha, M. Michael;
Veluraja, K.

Publication type:

Article

Evaluating the suitability of RNA intervention mechanism exerted by some flavonoid molecules against dengue virus MTase RNA capping site: a molecular docking, molecular dynamics simulation, and binding free energy study.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 12, p. 3533, doi. 10.1080/07391102.2019.1666744

By:

Manjula, Saravanan;
Kumaradhas, Poomani

Publication type:

Article

Quantitative structure-activity relationship and molecular docking studies on human proteasome inhibitors for anticancer activity targeting NF-κB signaling pathway.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 12, p. 3621, doi. 10.1080/07391102.2019.1666743

By:

Yadav, Deepika;
Mishra, Bhartendu Nath;
Khan, Feroz

Publication type:

Article

Elucidating the molecular interaction of Zebrafish (Danio rerio) peptidoglycan recognition protein 2 with diaminopimelic acid and lysine type peptidoglycans using in silico approaches.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 12, p. 3687, doi. 10.1080/07391102.2019.1666742

By:

Rout, Ajaya Kumar;
Paramanik, Sunanda;
Dehury, Budheswar;
Acharya, Varsha;
Swain, Himanshu Sekhar;
Pradhan, Sukanta Kumar;
Behera, Bhaskar;
Pati, Soumen Kumar;
Behera, Bijay Kumar;
Das, Basanta Kumar

Publication type:

Article

Computational determination of binding modes of 2-acetoxyphenylhept-2-ynyl sulfide to cyclooxygenase-2.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 12, p. 3648, doi. 10.1080/07391102.2019.1666033

By:

Wei, Wanqing;
Chen, Yani;
Ma, Jing;
Xie, Daiqian;
Zhou, Yanzi

Publication type:

Article

Identification and evaluation of glutathione conjugate gamma-l-glutamyl-l-cysteine for improved drug delivery to the brain.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 12, p. 3610, doi. 10.1080/07391102.2019.1664937

By:

Fatima, Saman;
Mohammad, Taj;
Jairajpuri, Deeba Shamim;
Rehman, Md Tabish;
Hussain, Afzal;
Samim, Mohammed;
Ahmad, Farhan Jalees;
Alajmi, Mohammed F.;
Hassan, Md. Imtaiyaz

Publication type:

Article

The 4b-4c loop of excitatory amino acid transporter 1 containing four critical residues essential for substrate transport.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 12, p. 3599, doi. 10.1080/07391102.2019.1664935

By:

He, Suifen;
Zhang, Wenlong;
Zhang, Xiuping;
Xu, Pingyi;
Hong, Mei;
Qu, Shaogang

Publication type:

Article

The investigation of the G-quadruplex aptamer selectivity to Pb<sup>2+</sup> ion: a joint molecular dynamics simulation and density functional theory study.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 12, p. 3659, doi. 10.1080/07391102.2019.1664933

By:

Khoshbin, Zahra;
Housaindokht, Mohammad Reza;
Izadyar, Mohammad;
Bozorgmehr, Mohammad Reza;
Verdian, Asma

Publication type:

Article

Transient decondensation of chromatin in liver nuclei of rats treated with tannic acid.

Published in:

2020

By:

Asatryan, Anush L.;
Matinyan, Karine S.;
Artsruni, Irina G.;
Gevorgyan, Emil S.;
Antonyan, Ara P.;
Vardevanyan, Poghos O.

Publication type:

Letter

In silico screening of anti-inflammatory compounds from Lichen by targeting cyclooxygenase-2.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 12, p. 3544, doi. 10.1080/07391102.2019.1664328

By:

Joshi, Tanuja;
Sharma, Priyanka;
Joshi, Tushar;
Chandra, Subhash

Publication type:

Article

Rational MD simulations for improvement the affinity of nanobody against PlGF (placenta growth factor): mutagenesis based on electrostatic interactions.

Published in:

2020

By:

Forouzesh, Mehdi;
Askerovich Mamedov, Adil;
Pourabadeh, Amirasad;
Hosseini, Mojgan;
Hosseinzadeh, Ghader;
Arezumand, Roghaye

Publication type:

Letter

Design of a potent anticancer lead inspired by natural products from traditional Indian medicine.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 12, p. 3563, doi. 10.1080/07391102.2019.1664326

By:

Arya, Hemant;
Yadav, C. Suresh;
Lin, Shu-Yu;
Syed, Safiulla Basha;
Charles, Mariasoosai Ramya Chandar;
Kannadasan, Sathananthan;
Hsieh, Hsing-Pang;
Singh, Sorokhaibam Sureshkumar;
Gajurel, Padma Raj;
Coumar, Mohane Selvaraj

Publication type:

Article

Molecular dynamics simulations reveal structural differences among wild-type NPC1 protein and its mutant forms.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 12, p. 3527, doi. 10.1080/07391102.2019.1664324

By:

Martínez-Archundia, M.;
Hernández Mojica, T. G.;
Correa-Basurto, J.;
Montaño, S.;
Camacho-Molina, A.

Publication type:

Article

The effects of nickel oxide nanoparticles on structural changes, heme degradation, aggregation of hemoglobin and expression of apoptotic genes in lymphocytes.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 12, p. 3676, doi. 10.1080/07391102.2019.1662850

By:

Gamasaee, Niusha Abbasi;
Muhammad, Hawzheen A.;
Tadayon, Elahe;
Ale-Ebrahim, Mahsa;
Mirpour, Mirsasan;
Sharifi, Majid;
Salihi, Abbas;
Shekha, Mudhir Sabir;
Alasady, Asaad A. B.;
Aziz, Falah Mohammad;
Akhtari, Keivan;
Hasan, Anwarul;
Falahati, Mojtaba

Publication type:

Article

A newly synthesized 6-methyl-7H,8H,9H-[1,2,4]triazolo[4,3-b][1,2,4]triazepin-8-one for potential inhibitor of adenosine A1 receptor: a combined experimental and computational studies.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 12, p. 3578, doi. 10.1080/07391102.2019.1662848

By:

El Bakri, Youness;
Karthikeyan, Subramani;
Anouar, El Hassane;
Sebhaoui, Jihad;
Ben Ali, Abdelkader;
El Ghayati, Lhoussaine;
Essassi, El Mokhtar;
Mague, Joel T.

Publication type:

Article

Soft regions of protein surface are potent for stable dimer formation.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 12, p. 3587, doi. 10.1080/07391102.2019.1662328

By:

Hadi-Alijanvand, Hamid

Publication type:

Article

Development of viscometric methods for studying the interaction of porphyrins with DNA.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 12, p. 3489, doi. 10.1080/07391102.2019.1660217

By:

Barkhudaryan, Vigen G.;
Ananyan, Gayane V.

Publication type:

Article

New heat shock protein (Hsp90) inhibitors, designed by pharmacophore modeling and virtual screening: synthesis, biological evaluation and molecular dynamics studies.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 12, p. 3462, doi. 10.1080/07391102.2019.1660216

By:

Abbasi, Maryam;
Amanlou, Massoud;
Aghaei, Mahmoud;
Bakherad, Mohammad;
Doosti, Rahele;
Sadeghi-Aliabadi, Hojjat

Publication type:

Article

Single-cell RNA-Seq: a next generation sequencing tool for a high-resolution view of the individual cell.

Published in:

2020

By:

Stevenson, Kevin;
Uversky, Vladimir N.

Publication type:

Letter

Inhibitory effect of α-ketoglutaric acid on α-glucosidase: integrating molecular dynamics simulation and inhibition kinetics.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 12, p. 3496, doi. 10.1080/07391102.2019.1659858

By:

Xiong, Shang-Ling;
Lim, Gyu Tae;
Yin, Shang-Jun;
Lee, Jinhyuk;
Lee, Jae-Rin;
Hahn, Myong-Joon;
Yang, Jun-Mo;
Park, Yong-Doo;
Qian, Guo-Ying

Publication type:

Article

Binding of Cys2His2 transcription factors with operator DNA: functional role of linkers between Zn-fingers.

Published in:

2020

By:

Chirgadze, Yuri N.;
Ivanov, Victor V.

Publication type:

Letter

In vitro DNA binding activity and molecular docking reveals pierisin-5 as an anti-proliferative agent against gastric cancer.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 12, p. 3474, doi. 10.1080/07391102.2019.1659856

By:

Sarathbabu, Subbarayan;
Sarma, Ranjan Jyoti;
Lalhruaitluanga, H.;
Velmurugan, Devadasan;
Subramanian, Selvi;
Kumar, Nachimuthu Senthil

Publication type:

Article

A computational approach to explore and identify potential herbal inhibitors for the p21-activated kinase 1 (PAK1).

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 12, p. 3514, doi. 10.1080/07391102.2019.1659855

By:

Shahinozzaman, Md;
Ishii, Takahiro;
Ahmed, Sinthyia;
Halim, Mohammad A.;
Tawata, Shinkichi

Publication type:

Article

A model of key residues interactions for HPVs E1 DNA binding domain-DNA interface based on HPVs residues conservation profiles and molecular dynamics simulations.

Published in:

2020

By:

da Silva Neto, Antonio Marinho;
Wander Montalvão, Rinaldo;
Bruneska Gondim Martins, Danyelly;
de Lima Filho, José Luiz;
Castelletti, Carlos Henrique Madeiros

Publication type:

Letter

Spectroscopic investigations on DNA binding profile of two new naphthyridine carboxamides and their application as turn-on fluorescent DNA staining probes.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 12, p. 3443, doi. 10.1080/07391102.2019.1657501

By:

Mahalakshmi, G.;
Vennila, K. N.;
Selvakumar, B.;
Rao, P. Lakshmana;
Malwade, Ruchi;
Deval, Sunny;
Madhuri, S.;
Seenivasaperumal, M.;
Elango, Kuppanagounder P.

Publication type:

Article

Haloadaptation: insights from comparative modeling studies between halotolerant and non-halotolerant dehalogenases.

Published in:

Journal of Biomolecular Structure & Dynamics, 2020, v. 38, n. 12, p. 3452, doi. 10.1080/07391102.2019.1657498

By:

Edbeib, Mohamed Faraj;
Aksoy, Hasan Murat;
Kaya, Yilmaz;
Wahab, Roswanira Abdul;
Huyop, Fahrul

Publication type:

Article