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Structural Bioinformatics

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Structural Bioinformatics

Structural Bioinformatics

Our expertise in the field of structural bioinformatics enables us to address complex biological issues pertaining to the three-dimensional structure of biological macromolecules. Through the analysis and prediction of macromolecular data, we are able to derive innovative insights.
Our experts have specialized in protein structure prediction and validation, as well as molecular docking and molecular dynamics simulations for biological macromolecules.

Computational Drug-Design and Development:

In the dynamic realm of pharmaceutical research, Computer-Aided Drug Design (CADD), cheminformatics, and advanced data analysis are indispensable cornerstones. These avant-garde technologies have consistently demonstrated their efficacy by streamlining R&D processes, curtailing associated costs, and gifting researchers with pivotal scientific insights. Integrated seamlessly, they serve as navigational beacons throughout the drug development continuum, sharpening focus, shaping projects, and expediently propelling potential compounds from experimental validation to clinical trials.

Our prowess is manifested in:

Structure and ligand-based screening.
Fragment-based drug design.
Curating and designing small-molecule libraries.
Deciphering protein-ligand and protein-protein interactions.
3D QSAR/QSPR modeling.
Predicting ADMET profiles and physicochemical properties.
Molecular dynamics simulations

Three Dimensional Structure Generation

Proteins, the quintessential biochemical constituents, play a myriad of roles in biological processes. Both sequence and structural homology are pivotal to predicting protein structure. To truly comprehend a protein's function, one must be versed in its tertiary structure. The challenge in structural bioinformatics has perennially been predicting the 3-D structure of a protein based solely on its amino acid sequence. This problem has spurred the development of myriad computational strategies and methodologies.

Protein-protein Interaction

PPIs underpin our understanding of collaborative protein functions in cells. They orchestrate the symphony of biochemical reactions, guiding cellular pathways and impacting disease progression. Insight into PPIs illuminates multimeric protein complexes, aids in pathway identification, supports protein function prediction, and offers avenues for target prediction in drug design. The vast PPI networks, mapped over the past two decades, offer a lens into the intricate choreography of biological pathways, each nuanced step defined by individual protein actions.