Autonomous MD Engine • RTX 4090 Powered

MD Simulation &Methodology DocAutomation

Transform raw PDB structures into completed GPU trajectories and journal-grade academic Methodology Docs (.docx). Built for students, pharmaceutical researchers, and structural biologists.

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Enterprise Biophysics Pipeline Built for Speed

From free CPU physics verification to automated journal-ready Methodology Docs (.docx), our autonomous engine eliminates weeks of manual command-line troubleshooting.

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Zero Financial Risk

Free CPU Pre-Flight Physics Guard

Every PDB structure undergoes CPU-level integrity inspection and a 500-step energy minimization test before payment. Missing atoms are auto-repaired, ensuring your run will never explode on the GPU.

$0.00 Cost Verification⚡ ~2 seconds
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RunPod Secure Cloud

Dedicated RTX 4090 GPU Cluster

Automated system parameterization with AMBER ff14SB and TIP3P periodic water boxes. High-throughput leap-frog MD integration with GPU-PME delivering 150+ nanoseconds per day.

24 GB GDDR6X VRAM150+ ns / Day
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Thesis & Assignment Ready

Academic Methodology Doc (.docx)

Receive a formal, publication-standard Materials & Methods chapter written in formal academic prose. Includes peer-reviewed software citations, force field parameters, and embedded figures.

Formatted for Microsoft WordComplete Citations
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Publication Standard

300 DPI Journal Plots & PyMOL Trajectories

Clean, vector-styled 300 DPI plots automatically parsed from raw GROMACS XVG energy and coordinate matrices: Backbone RMSD vs. time, per-residue C-alpha RMSF, structural compactness (Radius of Gyration), and inter-chain hydrogen bonds.

// Deliverables Archive
├── figures/
│ ├── Figure1_Backbone_RMSD.png (300 DPI)
│ ├── Figure2_PerResidue_RMSF.png (300 DPI)
│ ├── Figure3_RadiusOfGyration.png (300 DPI)
│ └── Figure4_HydrogenBonds.png (300 DPI)
├── Methodology_Report.docx (Editable Word)
└── 3D_structures/ (Cleaned PDB + .gro + .xtc)
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Zero-Egress Delivery

Cloudflare R2 Direct Downloads

Every deliverable package (.zip) is securely stored on Cloudflare R2 and served across 300+ global edge locations. High-speed 1-click downloads with zero egress latency.

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🧬30 Free Biophysics Utilities

Looking for quick lab math or structure validation?

We moved all 30 client-side and cloud-compute tools into a dedicated, high-speed ecosystem. From Ramachandran plotters and ligand auditors to Lipinski filters and 3D coordinate converters — 100% free with zero login required.

Abir Opu — Pharmacy student and founder of InSilicoDoc
Pharmacy · Jahangirnagar University

About Me

Hi, I'm Abir Opu. I'm a pharmacy student at Jahangirnagar University, passionate about making computational biophysics and molecular simulation faster, cleaner, and accessible to every student and researcher.

Why I built InSilicoDoc

I know the struggle of trying to run complex GROMACS trajectories on low-spec laptops or wrestling with software that costs thousands of dollars. I built InSilicoDoc to eliminate those barriers. Every student deserves to produce publication-grade MD simulations and formal academic Methodology Docs without spending months debugging command-line scripts.

I've had the privilege to share my passion for science and technology on national television, including Bangladesh Television (BTV) and Nexus TV. Those experiences proved how eager researchers and students are for simpler, modern scientific workflows.

Bangladesh Television (BTV) · 2017
BTV appearance thumbnail

National television appearance on BTV — discussing science education and technology.

Nexus TV · 2022
Abir Opu with the team on Nexus TV (2022)

On set at Nexus TV with the team — discussing technology, science, and the future of education.

Not gatekeeping research.

I'm not trying to gatekeep science. I'm a student building the tools I wish I had on day one. Whether you're preparing a course assignment or submitting to a peer-reviewed journal, I hope these tools accelerate your discovery.

And BRICM — the most prestigious scientific research institution in Bangladesh — showed me how critical accessible computational tools are for scientific progress.

“Technology shouldn't be a barrier to discovery. It should be a bridge.”
— Abir Opu, Founder
BRICM · 2026
Abir Opu at BRICM — Bangladesh Reference Institute for Chemical Measurements (2026)
Bangladesh Reference Institute for Chemical Measurements