- Home
- About Us
- Services
- Molecular Dynamics Simulation Service
- Protein Molecular Dynamics Simulation Service
- Enzyme Molecular Dynamics Simulation Service
- RNA Molecular Dynamics Simulation Service
- DNA Molecular Dynamics Simulation Service
- Lipid Molecular Dynamics Simulation Service
- Membrane Protein Molecular Dynamics Simulation Service
- Umbrella Sampling Simulation Service
- Steered Molecular Dynamics (SMD) Service
- Replica Exchange Molecular Dynamics (REMD) Services
- Targeted Molecular Dynamics (TMD) Simulation
- Coarse-grained Dynamics Simulations
- Molecular Dynamics Analysis Service
- Calculating and Filtering Service of Compound Properties
- Calculating Water Molecules Service
- Computational Protein Analysis Services
- Hydrogen Bond Analysis Service
- Hydrophobic Interaction Analysis Service
- Binding Free Energy (MMGBSA) Analysis Service
- Binding Free Energy Decomposition Analysis Services
- Binding Mode Analysis Services
- Cluster Analysis Service
- Electrostatic Interaction Analysis Service
- RMSD, RMSF Analysis Service
- PCA Analysis Service
- Secondary Structure Analysis Service
- Protein Structure Modeling Service
- Homology Detection and Structure Comparison Service
- Fold Recognition Service
- Fusion Protein Modeling Service
- Homology Modeling Service
- Membrane Protein Modeling Service
- Post-translational Modification Service
- Physico-Chemical Property Measurements
- High-Precision Protein Comparison Modeling
- Protein–Ligand Interaction Modeling Service
- Virtual Screening Service
- Ligand-based Virtual Screening (LBVS)
- Structure-Based Virtual Screening (SBVS) Service
- Reverse Virtual Screening
- 2D-QSAR Service
- 3D-QSAR Service
- ADMET Prediction Service
- Virtual Screening Service of Covalently Bound Drugs
- Virtual Screening Service Based on Pharmacophore Fragments
- High Throughput Screening Services
- Protein Sequence Analysis Service
- Amino Acid Composition Analysis Service
- Protein Structural Feature Analysis
- Conserved Sequences Analysis Service
- Repeated Sequence Predictions Service
- Ligand Binding Site Prediction
- Motif Discovery Services in Protein Sequences
- Signal Peptide Prediction Services
- Transmembrane Prediction Services
- Protein Evolution Analysis
- In Silico PPI Prediction Service
- Molecular Docking Service
- Drug Design Services
- Target Prediction Service
- Structure-based Drug Design
- Fragment-based Drug Design
- De Novo Design
- Multiple Targeting Drug Design Services
- Pharmacophore Model Construction Service
- Pharmacophore Model Service without Protein Structure and without Ligand Structure
- Ligand-based Pharmacophore Model Service
- Pharmacophore Model Service with Known Protein and Ligand Structure
- Receptor-based Pharmacophore Model Service
- Pharmacophore Model Service of Pharmacophore Method in Docking Simulation
- Computer Aided Drug Design Service
- Drug Repositioning Service
- Quantum Chemistry Service
- QM/MM Simulation Service
- Spectrum Prediction Service
- UV Spectrum Prediction Service
- IR Spectrum Prediction Service
- NMR Spectrum Prediction Service
- Fluorescence Spectrum Prediction Service
- Vibration Circular Dichroism (VCD) Spectrum Prediction Service
- ROA Prediction Service
- Phosphorescence Spectrum Prediction Service
- Specific Rotation Calculation Service
- ECD Simulation Prediction Service
- Natural Bond Orbit Analysis (NBO) Service
- Nonlinear Optical Properties Analysis Service
- Thermodynamic Properties Analysis Service
- AMES Test Service
- Wavefunction Stability Testing Service
- Electrostatic Potential Mapping Service on Molecular Surface
- Molecular Structure Simulation Service
- Calculation Services
- Density Functional Theory Calculation Service
- Molecular Electrostatic Potential (MEP) Calculation Service
- Chemical Reaction Mechanism Calculation Service
- Transition State Calculation Service
- Enthalpy Change Calculation Service
- Molecular Ionization Potential Calculation Service
- Molecular Affinity Calculation Service
- Dipole Moment Calculation Service
- Molecular Volume Calculation Service
- Calculation Service of Chemical Isomers
- Calculation Service of Chemical Shift
- Calculation Service of Transition Metal Catalytic Reaction Mechanism
- Calculation Service of Hydrogen Bond and Halogen Bond
- Calculation Service of Charge Density
- Calculation Service of Addition Reaction and Reaction Rate Constant
- Global Simulations of Enzymatic Catalysis
- Excited State Computing Service
- Bioinformatics Services
- Disease Research Services
- First Principle Calculations
- Molecular Property Prediction
- Energy Band Structure Predictions
- Fermi Level Calculation
- DOS Calculation
- Differential Charge Density Calculation
- Diffusion Properties Calculation
- Migration Barrier Energy Calculation
- Adsorption Energy Calculation
- Catalytic Performance Calculation
- Energy-Related Calculations
- Phonon Spectrum Calculation
- Heat Capacity Calculations
- Molecular Dynamics Simulation Service
- Solutions
- Applications
- Applications of Computational Tools
- Applications of Computaional Approaches
- Applications of CADD
- Resource
- Tutorials
- Molecular Dynamics Software
- LAMMPS Tutorial
- Molecular Dynamics Analysis Tutorial
- Cytoscape Tutorial
- SMART Tutorial
- Psipred Installation Tutorial
- Trajectory Analysis Tutorial
- Rosetta Tutorial
- Amber Principal Component Analysis Tutorial
- GROMACS Modify Force Field and Increase Residue Tutorial
- GROMACS Calculation Distance Tutorial
- GROMACS Radial Distribution Function Calculation Tutorial
- gmx_mmpbsa Tutorial
- Ramachandran Plot Tutorial
- Color Tutorial for Drawing Secondary Structure
- Infrared Spectrum Calculation Tutorial
- Amber Building Glycoprotein Tutorial
- Venn Diagram Tutorial
- Stacking Calculation Tutorial
- Protein Conformation Cluster Analysis Tutorial
- GROMACS Cluster Analysis Code Tutorial
- xpm File Processing Script Tutorial
- Compilation Tutorial of AmberTools17 under Windows
- GROMACS Polysaccharide Simulation Tutorial
- Amber's Tutorial on Building Oligosaccharides
- Amber's Tutorial on Building Lipid Molecules
- QM/MM Simulation Tutorial
- QMMM Simulation Tutorial Using DFTB3
- GROMACS Calculation of MM-PBSA Binding Free Energy Tutorial
- Tutorial of Calculating the Angle Between Different Helices of Protein
- VMD Software Tutorial
- Molecular Docking Software
- Computational Simulation Drawing Software
- Calculation Software
- Molecular Modeling Tutorial
- Transcriptome Data Analysis Tutorial
- Molecular Dynamics Software
- Technical Bulletin
- Case Study
- Methods
- Downloads
- Tutorials
