brylinski.cct.lsu.edu

About us | Computational Systems Biology Group

Computational Systems Biology Group. Department of Biological Sciences. Center for Computation and Technology. Construction of molecular structures of all gene products in a given proteome using highly accurate template-based modeling techniques. To construct the molecular structures of all gene products. Such strategy maximizes the coverage of a given proteome by functionally relevant conformations, which is critical for proteome-wide function annotation. Undoubtedly, precise functional annotation is es...

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About us | Computational Systems Biology Group | brylinski.cct.lsu.edu Reviews

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Computational Systems Biology Group. Department of Biological Sciences. Center for Computation and Technology. Construction of molecular structures of all gene products in a given proteome using highly accurate template-based modeling techniques. To construct the molecular structures of all gene products. Such strategy maximizes the coverage of a given proteome by functionally relevant conformations, which is critical for proteome-wide function annotation. Undoubtedly, precise functional annotation is es...

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1 about us

2 quick intro

3 our vision

4 requisite components

5 structural bioinformatics

6 thread

7 algorithm 1

8 functional genomics

9 findsite

10 cheminformatics

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About us | Computational Systems Biology Group | brylinski.cct.lsu.edu Reviews

https://brylinski.cct.lsu.edu

Computational Systems Biology Group. Department of Biological Sciences. Center for Computation and Technology. Construction of molecular structures of all gene products in a given proteome using highly accurate template-based modeling techniques. To construct the molecular structures of all gene products. Such strategy maximizes the coverage of a given proteome by functionally relevant conformations, which is critical for proteome-wide function annotation. Undoubtedly, precise functional annotation is es...

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brylinski.cct.lsu.edu

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Publications | Computational Systems Biology Group

http://brylinski.cct.lsu.edu/content/publications

Computational Systems Biology Group. Department of Biological Sciences. Center for Computation and Technology. Submitted. Assessing the similarity of ligand binding conformations with the Contact Mode Score. Submitted. Herpes Simplex Virus Type 1 UL37 protein tyrosine residues conserved among all alphaherpesviruses are required for interactions with glycoprotein K (gK), cytoplasmic virion envelopment, and infectious virus production. Methods in Molecular Biology: Protein Function Prediction. 2016 Deletio...

2

Biblio | Computational Systems Biology Group

http://brylinski.cct.lsu.edu/biblio/author/156

Computational Systems Biology Group. Department of Biological Sciences. Center for Computation and Technology. Submitted. Estimating the magnitude of near-membrane PDE4 activity in living cells. In Press. Many-core devices in computer-aided drug discovery. 2016 GeauxDock: Accelerating structure-based virtual screening with heterogeneous computing. PLoS ONE. 11(7):e0158898. Download: 2016 pone.pdf. 2015 GeauxDock: A novel approach for mixed-resolution ligand docking using a descriptor-based force field.

3

Misagh Naderi | Computational Systems Biology Group

http://brylinski.cct.lsu.edu/people/misagh

Computational Systems Biology Group. Department of Biological Sciences. Center for Computation and Technology. Department of Biological Sciences. Baton Rouge LA, 70803. Computational protein modeling and Cheminformatics. Drug discovery and design. Virus protein structure prediction. Bio-inspired Engineering and Design. 2016 A graph-based approach to construct target-focused libraries for virtual screening. J Cheminform. 8:14. J Virol. 90(5):2230-9. Virol J. 87(6):3305-13. Virol J. 9:112. 2012 Nucleotide ...

4

About us | Computational Systems Biology Group

http://brylinski.cct.lsu.edu/home

Computational Systems Biology Group. Department of Biological Sciences. Center for Computation and Technology. Construction of molecular structures of all gene products in a given proteome using highly accurate template-based modeling techniques. To construct the molecular structures of all gene products. Such strategy maximizes the coverage of a given proteome by functionally relevant conformations, which is critical for proteome-wide function annotation. Undoubtedly, precise functional annotation is es...

5

Software | Computational Systems Biology Group

http://brylinski.cct.lsu.edu/content/software

Computational Systems Biology Group. Department of Biological Sciences. Center for Computation and Technology. Submit stuff to our on-line webservers. Download, install and run programs locally. Complete documentation and tutorials. Check out benchmarking results. Computer-aided drug discovery projects. Ligand binding site prediction and virtual screening. Prediction of protein binding sites and residues. Large-scale modeling of structures and functions of gene products across entire proteomes.

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About us | Computational Systems Biology Group

Computational Systems Biology Group. Department of Biological Sciences. Center for Computation and Technology. Construction of molecular structures of all gene products in a given proteome using highly accurate template-based modeling techniques. To construct the molecular structures of all gene products. Such strategy maximizes the coverage of a given proteome by functionally relevant conformations, which is critical for proteome-wide function annotation. Undoubtedly, precise functional annotation is es...

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