I will perform advanced protein ligand docking simulations interaction analysis

I offer my expertise in computational biophysics to deliver detailed and accurate molecular interaction analysis. This Gig is ideal for researchers and professionals in the first step of drug design who require precise modeling of protein-ligand interactions.

The services include:

BASIC "Essential Docking Analysis":

Standard protein-ligand (native + new) docking at the binding site.

Binding site identification.

Energy profiles.

Visualization file (.py, .pyc or .vmd)

STANDARD "Advanced Docking Dynamics":

Basic +

Semiflex-Ligand docking.

Interaction analysis.

1 hour discuss results.

Two proposals of amazing and high-quality images (publication type).

PREMIUM "Comprehensive Molecular Interaction":

Standard +

In-depth docking analysis

Multiple ligands (3 max)

Comprehensive interaction report.

Software:

AutoDock Vina, SwissDock, RosettaDock, VMD, UCSF Chimera, PyMOL, Grace.

This gig will aid in understanding molecular interactions and guide drug design with high precision.

My work has contributed to groundbreaking research, as evidenced by its inclusion in notable scientific articles see:

https://doi.org/10.1093/jme/tjz171

https://doi.org/10.1021/acs.jafc.9b01067