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AMRA-Lab · Molecular Dynamics Simulation Aid
Atomistic & Molecular Research Aid
Simulate your molecule from scratch to publication-ready results — at an affordable cost.
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GROMACS
AMBER
NAMD
1 USD = 123.10 BDT
1Number of Complexes
1
complex selected
1
1 → 30
2Protein Size (AA = Amino Acids)
3⏰ Simulation Duration
Drug / Ligand Design & Docking
Drug, Ligand or Any Structure Design & Docking
DFT / Optimization
Docking
Library Screening
1Quantity
1
item selected
1
1 → 30
2Choose Design / Docking Service
DFT Analysis / Optimize
per structure
৳1,000
$8.12
$8.12
Draw or Optimize
per structure
৳1,500
$12.19
$12.19
Docking
per complex
৳300
$2.44
$2.44
Covalent Docking
per complex
৳500
$4.06
$4.06
Drug / Compound Library Screening
1000 compounds
৳1,000
$8.12
$8.12
3Docking Method Options
Steered MD (SMD)
Steered Molecular Dynamics
Protein-Ligand Only
Force-probe Simulation
1Number of Complexes
1
complex selected
1
1 → 30
2⏰ Simulation Duration (Picoseconds)
✓All outputs included per complex
📈
Force vs Time
Pulling force profile over trajectory
📍
Position vs Time
Ligand COM displacement
⚡
Non-bonded Energy
vdW & electrostatic profile
Umbrella Sampling
Umbrella Sampling & PMF Calculation
Protein-Ligand
PMF Analysis Included
1Number of Complexes
1
complex selected
1
1 → 30
2Protein Size (AA = Amino Acids)
3⏰ Simulation Duration
MD · Any Solvent
MD Simulation with Any Solvent
Water
Organic Solvent
Ionic Solution
1Number of Complexes
1
complex selected
1
1 → 30
2System Size (Total Atoms incl. water)
3⏰ Simulation Duration
Lipid Membrane MD
MD with Lipid Membrane
Bilayer System
Membrane Protein
1Number of Complexes
1
complex selected
1
1 → 30
2System Size (Total Atoms incl. water)
3⏰ Simulation Duration
🔬 Analysis Services
Analysis & Post-Processing
Click cards to add to order
Raw ৳300 · Publication ৳500
Included FREE — Protein-Ligand & Protein-Peptide
RMSD
Rg (Radius of Gyration)
RMSF
SASA
📝 MD Simulation Method (Writing)
📁 All Simulation Files
🗄 Up to 1 Year File Preservation
📊 Raw Data Analysis ৳300 / analysis
DSSP
৳300 Raw
Raw ✓
DCCM
৳300 Raw
Raw ✓
PCA
৳300 Raw
Raw ✓
Free Energy Landscape
৳300 Raw
Raw ✓
Interaction Energy
৳300 Raw
Raw ✓
Buried SASA
৳300 Raw
Raw ✓
ADMET
৳300 Raw
Raw ✓
MM/GBSA
৳300 Raw
Raw ✓
MMPBSA
৳300 Raw
Raw ✓
Per-residue Decomp
৳300 Raw
Raw ✓
Alanine Scanning
৳300 Raw
Raw ✓
Contact Map
৳300 Raw
Raw ✓
Salt Bridge
৳300 Raw
Raw ✓
H-bond Analysis
৳300 Raw
Raw ✓
Simulation Movie
৳300 / complex
Raw ✓
✨ Publication Quality Plots ৳500 / analysis
Professional publication-ready figures. Selecting here upgrades or replaces a Raw selection.
DSSP
৳500 Publication
Pub ✓
DCCM
৳500 Publication
Pub ✓
PCA
৳500 Publication
Pub ✓
Free Energy Landscape
৳500 Publication
Pub ✓
Interaction Energy
৳500 Publication
Pub ✓
Buried SASA
৳500 Publication
Pub ✓
ADMET
৳500 Publication
Pub ✓
MM/GBSA
৳500 Publication
Pub ✓
MMPBSA
৳500 Publication
Pub ✓
Per-residue Decomp
৳500 Publication
Pub ✓
Alanine Scanning
৳500 Publication
Pub ✓
Contact Map
৳500 Publication
Pub ✓
Salt Bridge
৳500 Publication
Pub ✓
H-bond Analysis
৳500 Publication
Pub ✓
Simulation Movie
৳500 Publication
Pub ✓
💧 Solvent & Lipid Membrane Analysis Raw ৳500 · Pub ৳1,000
For MD Solvent & Lipid Membrane systems. Raw ৳500 / Publication ৳1,000 per analysis.
📊 Raw Data ৳500 / analysis
RDF
Radial Distribution Function
Radial Distribution Function
৳500 Raw
Sol Raw ✓
SDF
Spatial Distribution Function
Spatial Distribution Function
৳500 Raw
Sol Raw ✓
CDF
Cumulative Distribution Function
Cumulative Distribution Function
৳500 Raw
Sol Raw ✓
ADF
Angular Distribution Function
Angular Distribution Function
৳500 Raw
Sol Raw ✓
Aggregation Numbers
Cluster aggregation
Cluster aggregation
৳500 Raw
Sol Raw ✓
Critical Micelle Conc.
CMC analysis
CMC analysis
৳500 Raw
Sol Raw ✓
MSD / Diffusion
Mean square displacement
Mean square displacement
৳500 Raw
Sol Raw ✓
Shear Viscosity (η)
Flow property
Flow property
৳500 Raw
Sol Raw ✓
Solvation FEP
Free energy perturbation
Free energy perturbation
৳500 Raw
Sol Raw ✓
Electrostatic Potential
Potential map
Potential map
৳500 Raw
Sol Raw ✓
H-bond Donor-Acceptors
H-bond analysis
H-bond analysis
৳500 Raw
Sol Raw ✓
Density Profile
Number density
Number density
৳500 Raw
Sol Raw ✓
Mass Density Profile
Mass distribution
Mass distribution
৳500 Raw
Sol Raw ✓
Electron Density
Electron profile
Electron profile
৳500 Raw
Sol Raw ✓
Tilt Angle
Lipid tilt angle
Lipid tilt angle
৳500 Raw
Sol Raw ✓
APL (Area/Lipid)
Area per lipid
Area per lipid
৳500 Raw
Sol Raw ✓
Bilayer Thickness
Membrane thickness
Membrane thickness
৳500 Raw
Sol Raw ✓
✨ Publication Quality ৳1,000 / analysis
Professional publication-ready figures for solvent & membrane analyses.
RDF
Radial Distribution Function
Radial Distribution Function
৳1,000 Pub
Sol Pub ✓
SDF
Spatial Distribution Function
Spatial Distribution Function
৳1,000 Pub
Sol Pub ✓
CDF
Cumulative Distribution Function
Cumulative Distribution Function
৳1,000 Pub
Sol Pub ✓
ADF
Angular Distribution Function
Angular Distribution Function
৳1,000 Pub
Sol Pub ✓
Aggregation Numbers
Cluster aggregation
Cluster aggregation
৳1,000 Pub
Sol Pub ✓
Critical Micelle Conc.
CMC analysis
CMC analysis
৳1,000 Pub
Sol Pub ✓
MSD / Diffusion
Mean square displacement
Mean square displacement
৳1,000 Pub
Sol Pub ✓
Shear Viscosity (η)
Flow property
Flow property
৳1,000 Pub
Sol Pub ✓
Solvation FEP
Free energy perturbation
Free energy perturbation
৳1,000 Pub
Sol Pub ✓
Electrostatic Potential
Potential map
Potential map
৳1,000 Pub
Sol Pub ✓
H-bond Donor-Acceptors
H-bond analysis
H-bond analysis
৳1,000 Pub
Sol Pub ✓
Density Profile
Number density
Number density
৳1,000 Pub
Sol Pub ✓
Mass Density Profile
Mass distribution
Mass distribution
৳1,000 Pub
Sol Pub ✓
Electron Density
Electron profile
Electron profile
৳1,000 Pub
Sol Pub ✓
Tilt Angle
Lipid tilt angle
Lipid tilt angle
৳1,000 Pub
Sol Pub ✓
APL (Area/Lipid)
Area per lipid
Area per lipid
৳1,000 Pub
Sol Pub ✓
Bilayer Thickness
Membrane thickness
Membrane thickness
৳1,000 Pub
Sol Pub ✓
📝 Custom Simulation or Analysis Request
Need something not listed? Example: Enhanced Sampling Simulation (Replica Exchange, Accelerated Molecular Dynamics, Metadynamics, Carbon nano tube or materials, etc.), Drug library screening, Cluster Analysis, special movie angle, custom figure layout, extra plot, or another AMRA-Lab-confirmed request.
📝 Additional Terms
All terms below + the original Order Summary agreement must be checked before checkout.
📋 Order Summary
All services combined · Live total · BDT & USD
No items yet — configure a section above
Protein MD
SMD
Umbrella
MD Solvent
MD Lipid
Design / Docking
Analysis
🚚 Delivery Option
Coupon discount
Express (+50%)
Grand Total৳ —
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🔒 Secure · BDT / USD accepted · AMRA Lab