Works matching IS 27374165 AND DT 2025 AND VI 24 AND IP 10

Results: 9

Author Index Volume 24 (2025).

Published in:: Journal of Computational Biophysics & Chemistry, 2025, v. 24, n. 10, p. 1457, doi. 10.1142/S2737416525990017
Publication type:: Article

Synthesis, Electronic, Dynamic Optical and Adsorption (Monte Carlo and Molecular Dynamics) Properties of Cadmium Picolinate Coordination Polymer-2 (Cp-2).

Published in:

Journal of Computational Biophysics & Chemistry, 2025, v. 24, n. 10, p. 1441, doi. 10.1142/S2737416525500310

By:

Olawale, Margaret D.;
Ojo, Nathanael D.;
Oyeneyin, Oluwatoba E.;
Adimula, Vincent O.;
Siyanbola, Tolutope O.

Publication type:

Article

Mechanistic Insights into Thiazolidinones as Anticholinesterase Agents: 3D QSAR Pharmacophore Modeling, Molecular Docking, MD Simulations, and DFT Studies for Alzheimer's Therapy.

Published in:

Journal of Computational Biophysics & Chemistry, 2025, v. 24, n. 10, p. 1415, doi. 10.1142/S2737416525500309

By:

Sindhu, T. J.;
James, Jainey P.;
Zakiya Fathima, C.;
Mathew, Bijo;
Kumar, Sunil

Publication type:

Article

Integrated Computational/Experimental Identification, Phosphorylation and Stapling of an Intramolecular Auto-Inhibitory Helical Segment C-Terminal to Breast Cancer Her2 Kinase Domain.

Published in:

Journal of Computational Biophysics & Chemistry, 2025, v. 24, n. 10, p. 1403, doi. 10.1142/S2737416525500292

By:

Dong, Min;
Huang, Weiwei

Publication type:

Article

Dual Therapeutic Potential of Novel Cornallegic Acid: In Vitro Anti-inflammatory and ROS Suppression with Computational Insights from Docking, ADMET and DFT Studies.

Published in:

Journal of Computational Biophysics & Chemistry, 2025, v. 24, n. 10, p. 1385, doi. 10.1142/S2737416525500279

By:

Ullah, Wali;
Uddin, Ghias;
Rauf, Abdur;
Khan, Muhammad Umer;
Akram, Zuneera;
Shabbir, Chaudhry Ahmed;
Alsanie, Walaa F.;
Alamri, Abdulhakeem S.;
Iriti, Marcello

Publication type:

Article

An In Silico Analysis Integrating Bulk and Single-Cells RNA Sequencing to Study the Mechanistic Effects of Umbelliferone in COPD.

Published in:

Journal of Computational Biophysics & Chemistry, 2025, v. 24, n. 10, p. 1367, doi. 10.1142/S2737416525500255

By:

Mitra, Shirsha;
Khawas, Sayak;
Sharma, Neelima

Publication type:

Article

Elucidating the Potential of Isatin Derivatives as Antimicrobial Agents: DFT Calculations and MD Simulations.

Published in:

Journal of Computational Biophysics & Chemistry, 2025, v. 24, n. 10, p. 1347, doi. 10.1142/S2737416525500243

By:

Koyambo-Konzapa, Stève-Jonathan;
Mohamed, Dina E. M.;
Rady, Al-shimaa S. M.;
Sayed, Shaban R. M.;
El-Tayeb, Mohamed A.;
Sidhom, Peter A.;
Hegazy, Mohamed-Elamir F.;
Ibrahim, Mahmoud A. A.

Publication type:

Article

Plumbagin Attenuates the Migratory and Clonogenic Potential of Lung Cancer Cells: Utilizing Molecular Simulations to Obtain Mechanistic Insights.

Published in:

Journal of Computational Biophysics & Chemistry, 2025, v. 24, n. 10, p. 1331, doi. 10.1142/S2737416525500231

By:

Fu, Yuqiong;
Xing, Mengmeng;
Luo, Shulan;
Zhang, Luya

Publication type:

Article

'Dawa-ul-kurkum', a Potential Anti-Diabesity Polyherbal Formulation: Phyto-Metabolomics, Network Pharmacology, Molecular Docking and Simulation Studies Supported by in vitro Activity.

Published in:

Journal of Computational Biophysics & Chemistry, 2025, v. 24, n. 10, p. 1311, doi. 10.1142/S273741652550022X

By:

Sen, Sibu;
Mukhopadhyay, Nabarun;
Singh, Srishti;
Kaki, Venkata Rao;
Somabattini, Ravi Adinarayan;
Nanjappan, Satheesh Kumar;
Dikundwar, Amol G.

Publication type:

Article