Results 211 to 220 of about 250,731 (245)

Exploring Recent Updates on Molecular Docking: Types, Method, Application, Limitation & Future Prospects

International journal of pharmaceutical research and allied sciences
Molecular docking serves as a crucial computational tool in the realm of drug discovery and development, aimed at understanding the interactions between small molecules and target proteins.
M. Sahu, Amit Kumar Nayak, B. Hailemeskel, Ozan Emre Eyupoglu   +3 more
semanticscholar   +1 more source

Biological action of molecular adduct pyrazole:trichloroacetic acid on Candida albicans and ctDNA - A combined experimental, Fukui functions calculation and molecular docking analysis

Journal of Molecular Structure, 2019
A molecular adduct, pyrazole:trichloroacetic acid (PTCAA) exhibits a greater scavenging activity against standard DPPH• radical which was validated through Fukui functions calculation.
S. Balachandar, M. Dhandapani
semanticscholar   +1 more source

MzDOCK: A free ready‐to‐use GUI‐based pipeline for molecular docking simulations

Journal of Computational Chemistry
Molecular docking is by far the most preferred approach in structure‐based drug design for its effectiveness to predict the scoring and posing of a given bioactive small molecule into the binding site of its pharmacological target.
Muzammil Kabier, Nicola Gambacorta, Daniela Trisciuzzi, Sunil Kumar, O. Nicolotti, B. Mathew   +5 more
semanticscholar   +1 more source

Corrigendum to ‘Molecular modeling and docking studies of new antioxidant pyrazole-thiazole hybrids’ [Journal of Molecular Structure, Journal of Molecular Structure 1267 (2022) 133582 /first submission; MOLSTRUC-S-22-02660]

Journal of Molecular Structure, 2023
Alia Abdulaziz Alfi, Arwa Alharbi, Jihan Qurban, Matokah M. Abualnaja, Hana M. Abumelha, Fawaz A. Saad, Nashwa M. El-Metwaly   +6 more
openaire   +1 more source

Preliminary Investigation of the Neurobehavioral Effects of Cinnamomum tamala Leaf Extract Through Behavioral Models and Molecular Docking

Bangladesh Pharmaceutical Journal
Cinnamomum tamala is a traditionally used medicinal plant for many medical purposes; however, its neuropharmacological potential has not been properly studied.
Mohammad Musarraf Hussain, Mohammad Musarraf   +1 more
semanticscholar   +1 more source

Journal of Molecular Docking

2021
openaire   +1 more source

IPS Journal of Molecular Docking Simulations

2022
openaire   +1 more source

Molecular imaging in oncology: Current impact and future directions

Ca-A Cancer Journal for Clinicians, 2022
Steven P Rowe, Martin G Pomper
exaly  

Corrigendum to “Antibacterial potential with evidential molecular docking analysis and catalytic performance of multiple phases AgBr and PVP doped BaO nanorods” [Journal of Molecular Structure, 1328 (2025) 141371]

Journal of Molecular Structure
Muhammad Ikram, I. Shahzadi, Ali Haider, Sawaira Moeen, Khadija Khan, A. Ul-hamid, Zernab Mateen, M. Asiri, Hameed Ullah   +8 more
semanticscholar   +1 more source

Comment on “Fabrication of large surface area/Microrose-shaped Manganese (II) coordination polymer for evaluation of molecular docking, antibacterial and antioxidant Activity” published by R.G. Chaudhary et al. [Journal of Molecular Structure 1320 (2025) 139630]

Journal of Molecular Structure
E. Panova, D. Safin
semanticscholar   +1 more source