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I will perform molecular docking and protein ligand interaction analysis
PhD Student Pharmacoinformatics
I am a research scholar specialising in medicinal plant research, taxonomy, and pharmacoinformatics. I have extensive experience in molecular docking and molecular dynamics simulations for bioactive c...
Sobre este Serviço
Looking for reliable and scientifically meaningful molecular docking analysis for your research?
I provide molecular docking and proteinligand interaction analysis for research in computational biology, drug discovery, phytochemistry, natural products, and related fields.
My services include:
Molecular Docking
Protein and ligand preparation
Molecular docking using AutoDock/AutoDock Vina
Binding affinity analysis
Docking pose evaluation
Interaction Analysis
Hydrogen bonds
Hydrophobic interactions
ππ and πalkyl interactions
Van der Waals interactions
Identification of important interacting residues
Results & Visualization
Docking score/binding affinity tables
2D proteinligand interaction diagrams
3D molecular visualizations
Comparative analysis of multiple ligands
Publication-ready figures
I can also provide Lipinski drug-likeness, ADMET, BOILED-Egg, toxicity prediction, molecular dynamics (MD), RMSD/RMSF and MM/PBSA analysis as additional services.
I have research experience in computational drug discovery, molecular docking, molecular dynamics simulations and binding free-energy analysis, and I focus on clear, scientifically interpretable results.
Please contact me before ordering
Tecnologia:
MATLAB
Tipo de análise:
Análise qualitativa
Especialidade:
Desenho experimental
Linguagem de programação:
Python
Perguntas frequentes
What do you need from me to start the docking analysis?
I need the protein structure (PDB ID/file), ligand structures (SMILES, SDF, MOL or PDB), and binding-site information if available. If you are unsure about the binding site, please contact me before ordering.
Which docking software do you use?
I primarily use AutoDock/AutoDock Vina for molecular docking and Discovery Studio, PyMOL and UCSF Chimera for molecular interaction analysis and visualization.
Will I receive the docking results and figures?
Yes. Depending on your selected package, you can receive binding-affinity results, interaction analysis, 2D interaction diagrams, 3D visualizations and comparative tables.
Can you analyse natural products or phytochemicals?
Yes. I can analyse phytochemicals, natural products and other small-molecule compounds for protein–ligand docking and interaction analysis.
