Results 241 to 250 of about 69,829 (264)

Automated Ligand Design in Simulated Molecular Docking

The 2022 Conference on Artificial Life, 2022
Rob Maccallum, Geoff Nitschke
openaire   +1 more source

Research advances of molecular docking and molecular dynamic simulation in recognizing interaction between muscle proteins and exogenous additives

Food Chemistry, 2023
Jinxuan Cao, Fang Geng, Wendi Teng
exaly  

Pharmacophore model, docking, QSAR, and molecular dynamics simulation studies of substituted cyclic imides and herbal medicines as COX-2 inhibitors

Heliyon, 2021
Sajjad Gharaghani, Nathalie Moussa, Ahmad Hassan   +2 more
exaly  

Molecular docking and molecular dynamics simulation approach to screen natural compounds for inhibition of Xanthomonas oryzae pv. Oryzae by targeting peptide deformylase

Journal of Biomolecular Structure and Dynamics, 2021
Veena Pande, Subhash Chandra, Tushar Joshi   +2 more
exaly  

Towards understanding the interaction of β-lactoglobulin with capsaicin: Multi-spectroscopic, thermodynamic, molecular docking and molecular dynamics simulation approaches

Food Hydrocolloids, 2020
Bin Li, Yijie Chen, Fuchao Zhan
exaly  

A combined molecular docking and molecular dynamics simulation approach to probing the host–guest interactions of Ataluren with natural and modified cyclodextrins

Molecular Simulation, 2022
Seyed Saeied Homami, Farhad Bayat, Amirhossein Monzavi   +2 more
exaly  

IPS Journal of Molecular Docking Simulations

2022
openaire   +1 more source

Molecular docking study and molecular dynamic simulation of human cyclooxygenase-2 (COX-2) with selected eutypoids

Journal of Biomolecular Structure and Dynamics, 2022
Amal Maurady, Mohammed Reda Britel
exaly  

Drugs repurposing against SARS-CoV2 and the new variant B.1.1.7 (alpha strain) targeting the spike protein: molecular docking and simulation studies

Heliyon, 2021
Debanjan Kundu, Ragini Srivastava, Monu Pande   +2 more
exaly  

Screening of potential drug from Azadirachta Indica (Neem) extracts for SARS-CoV-2: An insight from molecular docking and MD-simulation studies

Journal of Molecular Structure, 2021
Narendra Nath Ghosh, Asoke Prasun Chattopadhyay, Nabajyoti Baildya   +2 more
exaly