esguerra
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forcefieldinr Public
A worksheet in R to illustrate the components of molecular mechanics force-fields.
R UpdatedJul 17, 2024 -
mesguerra.org Public
Flaskifying my webpage and also making it responsive.
HTML UpdatedJan 28, 2024 -
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nbd_central_docs Public
Forked from nostrumbiodiscovery/nbd_central_docsDocumentation NBD Cluster
HTML Apache License 2.0 UpdatedJun 21, 2022 -
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pymolbyexample Public
Scripts from a class on molecular rendering using pymol.
Python UpdatedMar 18, 2022 -
qfepweb Public
Forked from GPCR-ModSim/qfepwebDevelopment of the web interface to QligFEP.
Python GNU Lesser General Public License v2.1 UpdatedJan 19, 2022 -
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biobb_md Public
Forked from bioexcel/biobb_mdBiobb_md is the Biobb module collection to perform molecular dynamics simulations.
Python Apache License 2.0 UpdatedJan 14, 2022 -
pele_platform Public
Forked from nostrumbiodiscovery/pele_platformWrap up Platform to launch all PELE features. [AdaptivePELE, MSM, LigandGrowing, Glide Rescoring]
Python Apache License 2.0 UpdatedDec 30, 2021 -
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Fork of Q. A program for understanding biomolecular properties with molecular dynamics under the hood.
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protwis Public
Forked from protwis/protwisProtwis is the backbone of the GPCRdb. The GPCRdb contains reference data, interactive visualisation and experiment design tools for G protein-coupled receptors (GPCRs).
Python Apache License 2.0 UpdatedApr 27, 2021 -
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gpcrdb_data Public
Forked from protwis/gpcrdb_dataThis 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 (…
HTML UpdatedApr 15, 2021 -
blog.mesguerra.org Public
News and ramblings on computational biopolymer chemistry.
HTML UpdatedFeb 8, 2021 -
protwis_vagrant Public
Forked from protwis/protwis_vagrantPuppet Apache License 2.0 UpdatedJul 27, 2020 -
PELE_tutorials Public
Forked from nostrumbiodiscovery/PELE_tutorialsProtein Energy Landscape Exploaration (PELE) tutorials
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protwis_prod_conf Public
Forked from protwis/protwis_prod_confPuppet Apache License 2.0 UpdatedJun 5, 2020 -
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ki2014na Public
A one day class-workshop on Nucleic Acid Structure at Karolinska Institute 2014
Java UpdatedFeb 24, 2019 -
weeklyrev Public
A simple python program using feedparser to parse a list of scientific journals
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ki2430 Public
A one day class on nucleic acid structure at Karolinska Institute
Java UpdatedFeb 1, 2018 -
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base-pair-steps Public
A reproduction of Xiang-Jun Lu's step-by-step example on how to compute base-pair-step parameters.
Python UpdatedOct 27, 2017 -
Toy-MD Public
Forked from dspoel/Toy-MDPython code for learning Molecular Dynamics simulations
Python UpdatedJun 7, 2017 -
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protwis_dev_conf Public
Forked from protwis/protwis_dev_confPuppet Apache License 2.0 UpdatedJan 27, 2016 -
rna_distmap Public
A simple script to graph a distance map from an N by N matrix.