IN SILICO BIOLOGICAL APPLICATIONS

IN SILICO BIOLOGICAL APPLICATIONS

MOLECULAR DOCKING

If you have a protein, ligand or a novel compound in hand we help you out with the Active site detection, Screening of ligand libraries, Design a target-ligand complex and study its Docking mechanisms. The results coupled with the analysis and interpretations made by our in silico team would help you to speed up your research.

IN SILICO BIOLOGICAL APPLICATIONS

MOLECULAR MODELING

We at Decode’ Life Science help you to build reliable tertiary protein structures with the provided primary amino acid sequences or would carefully work to translate the genetic codes into its amino acid sequence and would then build a 3D model using Homology / Abinitio / Threading as per the customer’s requirements.

IN SILICO BIOLOGICAL APPLICATIONS

SIMULATIONS AND MOLECULAR DYNAMICS

Our team which is well versed in understanding the nuances of MD algorithms, applies simulation and dynamics to issues like allosteric regulation, docking & structure refinement which not only helps in understanding macromolecular structure to function relationships, but also aids the researcher to move from the analysis of single structure – to the analysis of conformational ensembles. Such Conformational Ensembles simulated by us are much better representatives of real macromolecules, as they account for flexibility and dynamic properties (including all thermodynamic information) and ease the match with experimental results.

IN SILICO BIOLOGICAL APPLICATIONS

BIOLOGICAL ACTIVITY PREDICTION

With the 2D structural formulas of the isolated compound we help to predict almost 3750 biological activities for your compound which serves to be an early indication about the usefulness of your compound as potential drug candidates.

IN SILICO BIOLOGICAL APPLICATIONS

IMMUNOINFORMATICS

The immunoinformatics applications such as identification of the antigenicity of an identified protein in pathogens, as well as to design suitable vaccines/antibodies using computational approaches can be done using the sequence information.

IN SILICO BIOLOGICAL APPLICATIONS

SEQUENCE ANALYSIS

With the raw sequence data in hand you can approach us for various sequence analysis from Annotation, SNP detection, Comparative analysis with similar genes to Phylogenetic mapping. Protein as well as nucleotide sequence analysis can be done with the raw sequence information.

IN SILICO BIOLOGICAL APPLICATIONS

DRUG LIKELINESS ADMETox PREDICTION

This service of ours play a crucial & vital role in identifying the Drug like behaviour of your lead compounds by studying its various parameters like synthetic ease, stability, oral availability, good pharmacokinetic properties, lack of toxicity and minimum addictive potential. The ADMETox (Absorption, Distribution, Metabolism and Toxic) predictions made by us help in the invitro understanding of the provided lead compound’s biological activity and therapeutic potentialities.

IN SILICO BIOLOGICAL APPLICATIONS

MACHINE LEARNING APPROACHES IN BIOLOGY

With any sort of Big Data provided we use artificial intelligence which refers to machine learning, a subclass of AI algorithms that extrapolate patterns from data provided and then use that analysis to make predictions everything tailor made according to the customer’s requirements. Thus, our machine learning service helps researchers to standardize, define, and perform experiments and streamline big data analysis, which enables researchers to focus on doing the actual science and helps them to extract deeper insights from their big data.

IN VITRO & IN VIVO BIOLOGICAL APPLICATIONS

Basic invitro applications such as anti-bacterial and anti-cancer studies will be supported by our company. We will help clients to screen your compounds with basic protocols and experiments related to in vitro microbiology, cup plate / disc plate method, MIC / MBC etc. Also we support in vitro molecular biology related experiments like cytotoxicity assays (MTT / SRB etc), flow cytometry, DNA / RNA isolation, PCR, RT PCR, protein gene expression, western blotting, anti-oxidant, anti-cancer studies etc.

We also provide guidance & support for promising compounds for in vivo animal studies, study protocol design and experiments (clients are expected to have animal ethical clearance certificate). Further we also can guide clients to proper channel for formulation & development support, pharmacokinetics / pharmacodynamics studies support & guidance, technology transfer support & clinical studies entry, phase trials guidance & support.

PHYTO-CHEMISTRY

We provide services for phytochemical analysis and estimation phyto-constituents in the plant samples.

COMPUTATIONAL CHEMISTRY APPLICATIONS

COMPUTATIONAL CHEMISTRY APPLICATIONS

3D STRUCTURE GENERATION

The three-dimensional structural information for the small molecules, both natural and synthesized for the identification of biological/pharmaceutical activity. It is also essential to study its interaction with other small/macro-molecules to perform its activity. This service enables to generate the 3D structure of any chemical compound from 2D information.

COMPUTATIONAL CHEMISTRY APPLICATIONS

STRUCTURE OPTIMIZATION

The physio-chemical properties of the chemical compound depend on its conformation. Structure optimization is done to identify the best conformation for the required activity of the chemical compound. Among the various conformers of the compound, structure optimization service identifies the optimized structure for the required activity of the chemical compound. This can be done for both the natural as well as synthesized compounds.

COMPUTATIONAL CHEMISTRY APPLICATIONS

HOMO-LUMO CALCULATION

Highest Occupied Molecular Orbital (HOMO) and Lowest Unoccupied Molecular Orbital (LUMO) are types of molecular orbitals that are important for electron transfer.

STATISTICAL ANALYSIS

We acquaint the researchers’ data with meaning by applying various statistical tests. We assemble, classify, tabulate and apply handpicked statistical tool after we gain a thorough understating of the quantitative and qualitative variables of the data, hence our analysis and interpretations are very precise, reliable and helps the lifeless data breathe. The following tests are performed to analyse the data including biological, medical and social science data:

  • SAMPLE SIZE ESTIMATION
  • ANOVA
  • CHI-SQUARE TESTS
  • REGRESSION
  • POST HOC TESTS
  • CORRELATION
  • DATA MODELING

MANUSCRIPT WRITING & PUBLICATION

  • PROCURING ISBN FOR BOOK
  • MANUSCRIPT WRITING AND EDITING

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