Computational Research Resources

This page is where we collect resources for computational aspects of projects, amenable to remote-science .

(Read: just because the FPLC is booked this week, you can still do some science!)

If you have ideas for adding to this list, please email KAL137@txstate.edu!

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Signing electronic forms: Use Adobe Sign to securely collect electronic signatures on PDFs. (KAL prefers this method!) Here’s an excellent tutorial on how to properly prepare the PDF form for signatures within your Texas State University-provided Adobe Sign account.

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E-notebooks

Because documentation is critical!

Benchling – the preferred e-notebook for LewisKA Lab; email KAL when you sign up so she can link you to the lab resources within Benchling

Lab Archives

HiveBench

Labstep

RSpace (“Research Space”) – the preferred e-notebook for our collaborators and colleagues in the Kerwin Research Group

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Structure Prediction

QUARK

Phyre2 Modeling

NeurosnapAI Modeling (uses AlphaFold)

SWISS-MODEL

Tunnel and Cavity Prediction in Proteins

CAVER: Tunnel Prediction in Proteins

MoloVol: more cavity modeling

ParSe: our predictor of phase separation of intrinsically disordered proteins (Paiz et al 2021, Ibrahim et al 2022, Wilson et al 2023)

Other LLPS phase predictors:

PhasePred

CATGRANULE

Structure Visualization Tools

PyMol (and PyMol Wiki)

Chimera (and Chimera Users Guide)

Dock small molecules using the above and AutoDock Vina

 

3D printing

Do you have a 3D printer, or does your school have a MakerSpace? 3D print your favorite biomolecule!

PDB101: How to 3D Print Biomolecules: including a ready-to-print set of .stl files!

NIH 3D Print Exchange

Thingiverse: search for biomolecules in the database for 3D print .stl files

Interactome Databases

H. sapiens: https://bioplex.hms.harvard.edu/

Arabidopsis thaliana: http://interactome.dfci.harvard.edu/A_thaliana/

Expression Profiling

Ensembl

NCBI Gene Expression Omnibus Profiles

Zebrafish Expression Database @ zfin.org

Tabula Muris: Single-Cell Mouse Transcriptomes

Multiple Sequence Alignments

ClustalOmega

PROMALS3D

ConSurf: The Evolutionary Conservation Server

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Computer Programming/Coding

R Programming

UNIX For Beginners (MacOS command-line)

Python

FORTRAN

Figure Preparation

Figure Design & Composition

A Figure is Worth 1000 Words: figure preparation advice from ASBMB

Webinar: Preparing Figures for Publication, from ASBMB

Develop Adobe Creative Suite Skills

TxSt students/staff – download CC through ITAC

Tutorials:

Adobe Illustrator

Adobe Photoshop