esguerra

q6

Fork of Q. A program for understanding biomolecular properties with molecular dynamics under the hood.

rna_distmap

A simple script to graph a distance map from an N by N matrix.

mesguerra.org

Flaskifying my webpage and also making it responsive.

PELE_tutorials

Protein Energy Landscape Exploaration (PELE) tutorials

weeklyrev

A simple python program using feedparser to parse a list of scientific journals

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.

esguerra

forcefieldinr

A worksheet in R to illustrate the components of molecular mechanics force-fields.

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).

gpcrjournalclub

gpcr journal club with remarkjs

ki2014na

A one day class-workshop on Nucleic Acid Structure at Karolinska Institute 2014

ki2430

A one day class on nucleic acid structure at Karolinska Institute

mapk11

BioBB workflow for MAPK11

nbd_central_docs

Documentation NBD Cluster

p38alpha

CNA for p38alpha using Bio3D from Barry Grant

pele_platform

Wrap up Platform to launch all PELE features. [AdaptivePELE, MSM, LigandGrowing, Glide Rescoring]

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).

protwis_dev_conf

protwis_prod_conf

protwis_vagrant

pymolbyexample

Scripts from a class on molecular rendering using pymol.

qfepweb

Development of the web interface to QligFEP.

qligfep

rna.mesguerra.org

rnasteps

thesis

Toy-MD

Python code for learning Molecular Dynamics simulations

vresetup