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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
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
Computational Protein Analysis Services
Calculating and Filtering Service of Compound Properties
Calculating Water Molecules Service
Molecular Dynamics Result Analysis Service
Molecular Dynamics Service
All-Atom Molecular Dynamics (MD) Simulations
Coarse-grained Dynamics Simulations
Interactions Analysis
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
PTM Site Prediction based on Sequence and Structure
PTM Predictions Service
Proteomic Analysis of PTMs
Physico-Chemical Property Measurements
Protein–Ligand Interaction Modeling Service
Cyclic Peptide Structure Prediction Service
High-Precision Protein Comparison Modeling
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
Structure-based Virtual Screening (SBVS)
Drug Design Service
Protein Modeling Service
Viral Protein Modeling Service
Nucleic Acid Binding Protein Modeling Service
Glycoprotein Modeling Service
Receptor Protein Modeling Services
Antibody Protein Modeling Services
G Protein-coupled Receptor Modeling Service
Ion Channel Protein Modeling Service
Protein Sequence Analysis Service
Amino Acid Composition Analysis Service
Ligand Binding Site Prediction
Motif Discovery Services in Protein Sequences
Signal Peptide Prediction Services
Transmembrane Prediction Services
Conserved Sequences Analysis Service
Repeated Sequence Predictions Service
Protein Structural Feature Analysis
Protein Evolution Analysis
In Silico PPI Prediction Service
Prediction of Protein-Protein Interaction (ISPPIsP) Service
Protein-Protein Interaction Network Prediction (ISPPINsP)
Prediction of Protein-Protein Interaction Sites (ISPPIsSP)
Molecular Docking Service
Protein-Small Molecule Docking Service
Protein-Protein Docking Service
Reverse Docking Service
Protein-DNA Docking Service
Flexible Peptide Docking
Drug Design Services
Structure-based Drug Design
Fragment-based Drug Design
Fragment-based Virtual Screening Combined with AutoT&T for De Novo Design Services
Fragment-based Approach to Design GPCR Ligand Service
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
Natural Medicine Reverse Targeting Service
Computer Aided Drug Design Service
Target Prediction Service
R-group Decomposition Service
Ligand-based Drug Design
Drug Repositioning Service
Antibody Drug Design Services
Antibody Library Screening
Recombinant Monoclonal Antibody Development
Humanized Antibody Development
Antibody Structure Prediction and Simulation
Antibody Sequence Design
Polyclonal Antibody Optimization
Antibody Affinity Modification Services
Antibody Drug Design for Specific Diseases
Antibody-Target Interaction Prediction
Antibody Affinity Prediction
Pharmacokinetic Simulation of Antibody Drugs
Antibody Drug Side Effect Prediction
Antibody Binding Site Prediction
Antibody Cross-Linking Simulation
Antibody Drug Immobilization Site Modification
Antibody Drug Immunogenicity Assessment
Monoclonal Antibody Development Services
Antibody Crystallography Service
Antibody Modification Analysis
Antibody-Antigen Binding Capacity Analysis
Protein Drug Design
Protein Inhibitor Design
Protein Drug Modeling
Protein Mutation Prediction
CADD Services
Quantum Chemistry 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
QM/MM Simulation Service
Density Functional Theory Calculation Service
Molecular Electrostatic Potential (MEP) Calculation Service
Natural Bond Orbit Analysis (NBO) Service
Nonlinear Optical Properties Analysis Service
Thermodynamic Properties Analysis Service
Chemical Reaction Mechanism Calculation Service
Transition State Calculation Service
Enthalpy Change Calculation Service
AMES Test Service
Molecular Volume Calculation Service
Dipole Moment Calculation Service
Molecular Ionization Potential Calculation Service
Molecular Affinity Calculation Service
Wavefunction Stability Testing Service
Electrostatic Potential Mapping Service on Molecular Surface
Molecular Structure Simulation Service
Global Simulations of Enzymatic Catalysis
Excited State Computing Service
Calculation Services
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
Bioinformatics Services
Bioinformatic Analysis-Data Preprocess and Normalization Service
Bioinformatics Data Management Service
Gene Function Annotation and Function Enrichment Analysis Service
KEGG Pathway Annotation Analysis Service
KEGG Enrichment Analysis Service
Bioinformatics Analysis of Metabolomics
Cluster Analysis of Differential Metabolites
Bioinformatics Analysis of Proteomics
Statistical Analysis of Differentially Expressed Proteins
Cluster Analysis of Differentially Expressed Proteins
Proteomic Analysis of Post-translational Modifications Service
Ubiquitination Prediction
Disease Research Services
Computational Oncology
Cancer Dynamics Analysis Service
Computational Neurology
Computational Metabolomics
Computational Enzymology
Computational Proteomics
Computational Peptide Services
Peptide Drug Energy Calculation Service
Cyclic Peptide Structure Prediction Services
Peptide Molecular Dynamics Analysis Service
Peptide Drug Target Validation Service
Peptide Molecular Dynamics Simulation
Peptide Molecular Docking
Peptide Homology Modeling Service
Peptide Amino Acid Interaction Network Analysis
Peptide Drug Binding Affinity Calculation Service
Solutions
Antibody Drug Discovery Service
Antibody Modeling Services
Antibody Design/Humanization Service
Antigenic Determinant Prediction
Antibody Affinity Maturation Service
Computer-Aided Antibody Screening and Design
Antibody Reformatting Service
Antibody Characterization and Analysis
Antibody Docking Service
Antibody Molecular Dynamics Service
Antibody
De Novo
Design
Antibody Structure Prediction
Antibody Development
Immunogenicity Assessment
Antibody-Antigen Interaction Prediction
Antibody Stability Construction Service
Antibody Aggregation Prediction
Antibody Allosteric Effect Service
ADC Drug Design Services
ADC Antibody Screening
ADC Payloads Synthesis Service
Computational Multitarget Drug Design Service
PROTAC Drug Development Services
Computer-aided PROTAC Molecular Design
PROTAC Molecular Dynamics Service
Contact Us
Computational Biology Platform
Home
Resource
Downloads
Resource
Case Study
Protein-ligand Interactions Case Study
Tubulin Polymerization Inhibitor Design
Downloads
Technical Bulletin
Challenges Faced by Drug Design Based on AI Technology
Comparison of Machine Learning and Classical Force Field in Peptide Simulation
Current Problems and Challenges Facing Coarse-Grained
Data-Driven Computational Protein Design
FBDD Drug Discovery Technology Inventory
MD Simulation Accuracy Improvement
Molecular Mechanics
Principles of Molecular Docking
Analysis and Mapping of Molecular Docking Results
Quantum Chemistry
Density Functional Theory
Selection Method of Basis Set in Quantum Chemistry
Selection Method of Protein Crystal Structure
Time Control of Molecular Simulation
Overview of the Antibody Drug Discovery
Computational Antibody Design
Antigen-Antibody Interaction
Tutorials
Calculation Software
MSD Calculation Tutorial
Computational Simulation Drawing Software
Molecular Dynamics Software
LAMMPS Tutorial
Molecular Dynamics Analysis Tutorial
Amber Building Glycoprotein Tutorial
Amber Principal Component Analysis Tutorial
Amber's Tutorial on Building Lipid Molecules
Amber's Tutorial on Building Oligosaccharides
Color Tutorial for Drawing Secondary Structure
Compilation Tutorial of AmberTools17 under Windows
Cytoscape Tutorial
gmx_mmpbsa Tutorial
GROMACS Calculation Distance Tutorial
GROMACS Calculation of MM-PBSA Binding Free Energy Tutorial
GROMACS Cluster Analysis Code Tutorial
GROMACS Modify Force Field and Increase Residue Tutorial
GROMACS Polysaccharide Simulation Tutorial
GROMACS Radial Distribution Function Calculation Tutorial
Infrared Spectrum Calculation Tutorial
Protein Conformation Cluster Analysis Tutorial
Psipred Installation Tutorial
QM/MM Simulation Tutorial
QMMM Simulation Tutorial Using DFTB3
Ramachandran Plot Tutorial
Rosetta Tutorial
Protein Foldability Verification
Protein Loop Conformation Prediction
Protein-Protein Complex Docking Prediction
Protein Interaction Interface Analysis Tutorial
Rosetta FastRelax Protein Structure Optimization
Rosetta Energy Function
Protein Affinity Maturation Mutation Design
SMART Tutorial
Stacking Calculation Tutorial
Trajectory Analysis Tutorial
GROMACS Code Tutorial for Writing Trajectory Analysis
Tutorial of Calculating the Angle Between Different Helices of Protein
Venn Diagram Tutorial
xpm File Processing Script Tutorial
VMD Software Tutorial
VMD Tutorial-Graphics Matrix
VMD Tutorial-Drawing Style
VMD Tutorial-Display the Local Atoms of the Protein Separately
Animation of Trajectory with PyMOL and VMD
VMD Tutorial-Nanotube Construction
VMD Tutorial-Protein Structure Prediction
VMD Tutorial-RMSD Calculation
Molecular Docking Software
AutoDock Flexible Molecular Docking Tutorial
Autodock Tutorial
Tutorial of Preparing Flexible Residue Files in AUTODOCK
CDOCKER Tutorial
DOCK6 Tutorial
rDOCK Tutorial
Schrödinger Docking Tutorial
ZDOCK Tutorial
SnugDock Tutorials
Discovery Studio Tutorials
Discovery Studio LibDock Tutorial
Construction of PLS models Using Discovery Studio
System Preparation Using Discovery Studio
Evaluation of Homology Modeling Using Discovery Studio
Pharmacophore Construction Using Discovery Studio
Molecular Clustering Analysis Using Discovery Studio
QSAR Analysis Using Discovery Studio
ADMET Prediction Using Discovery Studio
Toxicological Prediction Using Discovery Studio
Molecular Modeling Tutorial
Modeller Modeling Tutorial
Swiss Model Tutorial
Transcriptome Data Analysis Tutorial
Methods
Ab Initio Quantum Chemistry Methods
Hybrid Method for Virtual Screening Service
Quantum Chemistry Service in Drug Design
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Molecular Visualization Service Based on PyMOL
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Professional Computational Biology Services
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