Mauricio Esguerra's Projects
A plugin to connect 3DNA and pymol
A reproduction of Xiang-Jun Lu's step-by-step example on how to compute base-pair-step parameters.
Biobb_md is the Biobb module collection to perform molecular dynamics simulations.
News and ramblings on computational biopolymer chemistry.
A worksheet in R to illustrate the components of molecular mechanics force-fields.
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).
gpcr journal club with remarkjs
A one day class-workshop on Nucleic Acid Structure at Karolinska Institute 2014
A one day class on nucleic acid structure at Karolinska Institute
BioBB workflow for MAPK11
The code we use to render README.your_favorite_markup
Flaskifying my webpage and also making it responsive.
Documentation NBD Cluster
Interpolator for generating smooth paths from an ab-intio MD trajectory for NEB calculations.
CNA for p38alpha using Bio3D from Barry Grant
Wrap up Platform to launch all PELE features. [AdaptivePELE, MSM, LigandGrowing, Glide Rescoring]
Protein Energy Landscape Exploaration (PELE) tutorials
Automatically exported from code.google.com/p/pmx
Protwis is the backbone of the GPCRdb. The GPCRdb contains reference data, interactive visualisation and experiment design tools for G protein-coupled receptors (GPCRs).
Scripts from a class on molecular rendering using pymol.
Fork of Q. A program for understanding biomolecular properties with molecular dynamics under the hood.
Development of the web interface to QligFEP.
A simple python script to query the pdb using their RESTful web services