HESUAN科研计算
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RESEARCH SERVICES

Find a computational service by research question

Browse eight research areas, focused topics or keywords to review method choices, input requirements, quality controls and concrete deliverables.

Showing 13 of 90 research services

Protein, peptide and antibody engineeringProtein and peptide engineering

Protein design

Connect sequence generation, structure screening, interface assessment and experimental prioritisation in traceable design cycles.

Structure prediction and confidence assessmentConstrained sequence generationInterface, stability and developability screening
Primary deliveryDesigned sequence set
Protein, peptide and antibody engineeringAntibody engineering

Antibody modelling and computational design

Build a computational assessment path around Fv structure, CDR conformations, antigen epitopes and antibody developability.

Antibody structure and CDR modellingAntigen–antibody docking and interface analysisHumanisation, affinity maturation and developability triage
Primary deliveryStructural models with confidence notes
Protein, peptide and antibody engineeringProtein and peptide engineering

Protein interaction and interface analysis

Combine complex-structure prediction, docking, interface hotspots and dynamics review to study protein recognition and regulation.

Complex-structure prediction and dockingInterface hotspot, conservation and energetic analysisMutational scanning and dynamics review
Primary deliveryCandidate complex conformations
Protein, peptide and antibody engineeringProtein and peptide engineering

Peptide and cyclic-peptide design

Design peptide candidates around target interfaces, conformational constraints and developability, then build a screening funnel.

Interface hotspot and fragment extractionSequence and cyclisation designConformation, docking and dynamics review
Primary deliveryCandidate sequences and modification ideas
Protein, peptide and antibody engineeringProtein and peptide engineering

Protein structure modelling and refinement

Build structural models from sequences, templates and experimental restraints, with systematic assessment of local geometry, confidence and usable scope.

Homology, de-novo and complex structure predictionLoop, side-chain and protonation refinementStructure quality, confidence and alternate-state assessment
Primary deliveryCandidate structures with confidence annotation
Protein, peptide and antibody engineeringAntibody engineering

Antibody humanisation design

Use germline-framework selection, CDR grafting, back-mutation and structural review to propose humanised sequences that preserve recognition geometry.

Germline matching and framework selectionCDR grafting and back-mutation designStructural, interface and developability review
Primary deliveryCandidate humanised sequences
Protein, peptide and antibody engineeringAntibody engineering

Antibody affinity maturation

Combine interface hotspots, sequence constraints, mutation enumeration and structural review to reduce the experimental search space for affinity maturation.

Interface-hotspot and contact-network analysisSingle and combinatorial mutation designStability, conformation and developability filtering
Primary deliveryPrioritised mutation combinations
Protein, peptide and antibody engineeringAntibody engineering

Bispecific antibody design

Compare bispecific antibody formats around two recognition arms, molecular architecture, chain pairing and spatial accessibility.

Format and linkage modellingDual-target geometry and accessibility analysisChain-pairing, interface and developability checks
Primary deliveryCandidate bispecific models
Protein, peptide and antibody engineeringAntibody engineering

Single-domain and nanobody design

Model and optimise single-domain antibodies around framework features, long CDR3 loops, solubility and epitope accessibility.

Single-domain antibody modellingEpitope docking and CDR analysisFramework, solubility and mutation design
Primary deliveryStructural and complex candidates
Protein, peptide and antibody engineeringProtein and peptide engineering

Enzyme design and optimisation

Propose testable enzyme mutations and substrate-selectivity designs around catalytic geometry, access channels, stability and sequence constraints.

Catalytic-site and channel analysisMutation enumeration and structural filteringSubstrate docking, stability and multistate comparison
Primary deliveryCandidate mutations and combinations
Protein, peptide and antibody engineeringProtein and peptide engineering

Computational protein-vaccine design

Integrate antigen sequence, structural exposure, epitope prediction, conservation and population coverage into experimental construct proposals.

Antigen conservation and structural accessibilityB- and T-cell epitope predictionConstruct, linker and developability design
Primary deliveryCandidate antigen regions and constructs
Protein, peptide and antibody engineeringProtein and peptide engineering

Peptide-library design

Build tractable peptide libraries around sequence diversity, interface hotspots, physicochemical properties, modifications and synthesis constraints.

Parent-sequence and key-position definitionCombinatorial enumeration and diversity samplingProperty, structure and synthesis filtering
Primary deliveryPeptide sequence library
Protein, peptide and antibody engineeringProtein and peptide engineering

Cyclic-peptide conformational modelling

Generate cyclic-peptide ensembles for head-to-tail cyclisation, side-chain bridges and non-natural modifications to compare preorganisation and target compatibility.

Cyclisation and non-natural-residue parameterisationConformational search and clusteringFree- and bound-state conformational comparison
Primary deliveryCyclic-peptide conformer ensemble
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