Pinned Repositories
3dnagui
A plugin to connect 3DNA and pymol
base-pair-steps
A reproduction of Xiang-Jun Lu's step-by-step example on how to compute base-pair-step parameters.
biobb_md
Biobb_md is the Biobb module collection to perform molecular dynamics simulations.
blog.mesguerra.org
News and ramblings on computational biopolymer chemistry.
PELE_tutorials
Protein Energy Landscape Exploaration (PELE) tutorials
q6
Fork of Q. A program for understanding biomolecular properties with molecular dynamics under the hood.
querypdb
A simple python script to query the pdb using their RESTful web services
rna_distmap
A simple script to graph a distance map from an N by N matrix.
rxnlvl
A simple python package for drawing attractive chemical reaction energy level diagrams
weeklyrev
A simple python program using feedparser to parse a list of scientific journals
esguerra's Repositories
esguerra/q6
Fork of Q. A program for understanding biomolecular properties with molecular dynamics under the hood.
esguerra/rna_distmap
A simple script to graph a distance map from an N by N matrix.
esguerra/mesguerra.org
Flaskifying my webpage and also making it responsive.
esguerra/PELE_tutorials
Protein Energy Landscape Exploaration (PELE) tutorials
esguerra/weeklyrev
A simple python program using feedparser to parse a list of scientific journals
esguerra/base-pair-steps
A reproduction of Xiang-Jun Lu's step-by-step example on how to compute base-pair-step parameters.
esguerra/biobb_md
Biobb_md is the Biobb module collection to perform molecular dynamics simulations.
esguerra/blog.mesguerra.org
News and ramblings on computational biopolymer chemistry.
esguerra/esguerra
esguerra/forcefieldinr
A worksheet in R to illustrate the components of molecular mechanics force-fields.
esguerra/gpcrdb_data
This repository is the collection point of reference data for the GPCRdb. The GPCRdb contains reference data, interactive visualisation and experiment design tools for G protein-coupled receptors (GPCRs).
esguerra/gpcrjournalclub
gpcr journal club with remarkjs
esguerra/ki2014na
A one day class-workshop on Nucleic Acid Structure at Karolinska Institute 2014
esguerra/ki2430
A one day class on nucleic acid structure at Karolinska Institute
esguerra/mapk11
BioBB workflow for MAPK11
esguerra/nbd_central_docs
Documentation NBD Cluster
esguerra/p38alpha
CNA for p38alpha using Bio3D from Barry Grant
esguerra/pele_platform
Wrap up Platform to launch all PELE features. [AdaptivePELE, MSM, LigandGrowing, Glide Rescoring]
esguerra/protwis
Protwis is the backbone of the GPCRdb. The GPCRdb contains reference data, interactive visualisation and experiment design tools for G protein-coupled receptors (GPCRs).
esguerra/protwis_dev_conf
esguerra/protwis_prod_conf
esguerra/protwis_vagrant
esguerra/pymolbyexample
Scripts from a class on molecular rendering using pymol.
esguerra/qfepweb
Development of the web interface to QligFEP.
esguerra/qligfep
esguerra/rna.mesguerra.org
esguerra/rnasteps
esguerra/thesis
esguerra/Toy-MD
Python code for learning Molecular Dynamics simulations
esguerra/vresetup