Sage Journals: Discover world-class research

Open access

Research article

First published 2025

Repurposing terfenadine and domperidone for inhibition of apoptotic gene association in colorectal cancer: A system pharmacology approach integrated with molecular docking,MD simulations,and post-MD simulation analysis

Pushpaveni C, Hemavathi S, Santosh Prasad Chaudhary Kurmi [...]

Bioinformatics and Biology Insights

Open access

Research article

First published 2025-9

Efficient synthesis of new 1′H-[1,2′-biimidazol]-5(4H)-one derivatives as antibacterial and antifungal agents with characterization,molecular docking,MD simulation,DFT analysis and in vitro bioactivity

Supriyo Saha, Farheen Parveen, Mohit Bisht [...]

Journal of Chemical Research

Open access

Research article

First published 2025-1

New derivatives based on zerumbone scaffold as anticancer inhibitors: Synthesis,in vitro anticancer evaluation,docking,and MD simulation studies

Ngoc Hung Truong, Minh Ha Le, Hanh Trang Luu [...]

Journal of Chemical Research

Retricted access

Research article

First published 2008-11

Characterizing Mechanical Properties of Particulate Nanocomposites Using Micromechanical Approach

Jia-Lin Tsai, Shi-Hua Tzeng

Journal of Composite Materials

Retricted access

Research article

First published 2018-5

Molecular dynamics simulation of the elliptical vibration-assisted machining of pure iron

Saurav Goel, Fabian Duarte Martinez, Saeed Zare Chavoshi [...]

Journal of Micromanufacturing

Open access

Research article

First published 2021

In Silico Exploration of Phytoconstituents From Phyllanthus emblica and Aegle marmelos as Potential Therapeutics Against SARS-CoV-2 RdRp

Khushboo Pandey, Kiran Bharat Lokhande, K Venkateswara Swamy [...]

Bioinformatics and Biology Insights

Free access

Research article

First published 2021-9

Diffusion mechanism in cutting Ni-based alloy containing γ′ phase (Ni 3 Al) with CBN tool based on MD simulation

YiHang Fan, WenYuan Wang, ZhaoPeng Hao

Proceedings of the Institution of Mechanical Engineers,Part B: Journal of Engineering Manufacture

Open access

Research article

First published 2024

Antiviral Activity,Pharmacoinformatics,Molecular Docking,and Dynamics Studies of Azadirachta indica Against Nipah Virus by Targeting Envelope Glycoprotein: Emerging Strategies for Developing Antiviral Treatment

Otun Saha, Noimul Hasan Siddiquee, Rahima Akter [...]

Bioinformatics and Biology Insights

Open access

Research article

First published 2026

Integrating AI-Based Clustering,Molecular Dynamics,and Binding Energy Analysis to Elucidate Conformational Dynamics and Binding Selectivity in Extracellular Signal-Regulated Kinases 1 and 2 Complexes

Abdullah Alqahtani

Bioinformatics and Biology Insights

Open access

Research article

First published 2015-7

Anti-endotoxic activity and structural basis for human MD-2·TLR4 antagonism of tetraacylated lipid A mimetics based on βGlcN(1↔1)αGlcN scaffold

Jose Antonio Garate, Johannes Stöckl, María del Carmen Fernández-Alonso [...]

Innate Immunity

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