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-- Computational Biologist : Senior Scientist / Associate Director -- in Gothenburg, Sweden. Using tools from computational chemistry I have explored the behavior of biopolymers, in particular RNA, triple-helical DNA and G Protein Coupled Receptors (GPCR's). This research has taken me from my native Bogotá, Colombia, to New Jersey, U.S.A, then to Stockholm, Copenhagen, Barcelona, and now Gothenburg. I have a long standing interest in computational methods which started back home while taking our core course in Numerical Methods at the Universidad Nacional de Colombia by professor Oswaldo Lezama.

Mauricio Esguerra's Projects

base-pair-steps icon base-pair-steps

A reproduction of Xiang-Jun Lu's step-by-step example on how to compute base-pair-step parameters.

biobb_md icon biobb_md

Biobb_md is the Biobb module collection to perform molecular dynamics simulations.

forcefieldinr icon forcefieldinr

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

gpcrdb_data icon 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).

ki2014na icon ki2014na

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

ki2430 icon ki2430

A one day class on nucleic acid structure at Karolinska Institute

markup icon markup

The code we use to render README.your_favorite_markup

nebterpolator icon nebterpolator

Interpolator for generating smooth paths from an ab-intio MD trajectory for NEB calculations.

p38alpha icon p38alpha

CNA for p38alpha using Bio3D from Barry Grant

pele_platform icon pele_platform

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

pmx icon pmx

Automatically exported from code.google.com/p/pmx

protwis icon 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).

q6 icon q6

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

qfepweb icon qfepweb

Development of the web interface to QligFEP.

querypdb icon querypdb

A simple python script to query the pdb using their RESTful web services

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