LovoAlign: General molecular structural alignment packageLeandro MartinezDezembro 8, 2018Dezembro 10, 2018Dezembro 8, 2018Dezembro 10, 201801160LovoAlign is a new protein structural alignment package. The methods used for structural alignment are...
TopoLink: A package to evaluate structural models using chemical crosslinking distance constraints.Leandro MartinezDezembro 8, 2018Dezembro 10, 2018Dezembro 8, 2018Dezembro 10, 20180986TOPOLINK is a package to compute topological distances between atoms on the surface of proteins...
CellListMap.jl: Efficient and customizable cell list implementation for calculation of pairwise particle properties within a cutoffcces ccesJunho 23, 2022Junho 24, 2022Junho 23, 2022Junho 24, 2022028L. Martínez, CellListMap.jl: Efficient and customizable cell list implementation for calculation of pairwise particle properties...
IIS – Integrated Interactome Systemcces ccesAbril 4, 2019Abril 8, 2019Abril 4, 2019Abril 8, 201901093A Web-Based Platform for the Annotation, Analysis and Visualization of Protein-Metabolite-Gene-Drug Interactions by Integrating a...
MDLovoFit: Automatic identification of mobile and rigid substructure in protein dynamicsLeandro MartinezDezembro 8, 2018Dezembro 10, 2018Dezembro 8, 2018Dezembro 10, 20180954MDLovoFit is a package for the analysis of the mobility and structural fluctuation in Molecular...
FluidFreeEnergyforLAMMPS: Nonequilibrium Free-Energy Calculations of Fluids using LAMMPScces ccesMaio 31, 2021Maio 31, 2021Maio 31, 2021Maio 31, 202102580Scripts that allows to perform nonequilibrium free-energy calculations of fluid-phase systems using LAMMPS code. Details...
PGA: a Polyploid Gene Assemblercces ccesAbril 4, 2019Janeiro 28, 2020Abril 4, 2019Janeiro 28, 202011669PGA was developed using PERL scripts for running in Linux system and integrates various software...
High Performance Collision Cross Section Calculation – HPCCSLeandro MartinezDezembro 9, 2018Dezembro 10, 2018Dezembro 9, 2018Dezembro 10, 201801248High Performance Collision Cross Section Calculation – HPCCS The High Performance Collision Cross Section (HPCCS)...
Packmol: A package to build initial configurations for molecular dynamics simulationsLeandro MartinezDezembro 8, 2018Dezembro 10, 2018Dezembro 8, 2018Dezembro 10, 201802182PACKMOL creates an initial point for molecular dynamics simulations by packing molecules in defined regions...
DNN-ROM: a software to construct reduced order models and fluid flowscces ccesAbril 16, 2019Maio 2, 2019Abril 16, 2019Maio 2, 201902255...
Cellulose-builder: a toolkit for building crystalline structures of celluloseLeandro MartinezDezembro 9, 2018Abril 1, 2019Dezembro 9, 2018Abril 1, 201904313Cellulose-builder is a user-friendly program that builds crystalline structures of cellulose of different sizes and...
ComplexMixtures.jl: A package to study the structure of solutions formed by solutes and solvents of complex molecular shapes.cces ccesMaio 31, 2021Maio 31, 2021Maio 31, 2021Maio 31, 202101015ComplexMixtures is a Julia package to study the solute and solvent interactions of mixtures of...
PeNTIOS: a package for Petri Net simulation in Saccharomyces cerevisiaecces ccesAbril 4, 2019Abril 8, 2019Abril 4, 2019Abril 8, 20190764...
BioNetComp: a Python package for biological network development and comparisoncces ccesMaio 31, 2021Maio 31, 202102606BioNetComp compares two biologial networks from a list of genes/proteins. It provides both an easy-to-use...
OmpCloud: Programming Cloud Clusters with OpenMPcces ccesNovembro 1, 2019Novembro 1, 2019Novembro 1, 2019Novembro 1, 20190729OmpCloud is a toolset that allows you to use the cloud as an OpenMP offloading...