Open‐source molecular modeling software in chemical engineering focusing on the Molecular Simulation Design Framework
Sign Up to like & getrecommendations! Published in 2021 at "Aiche Journal"
DOI: 10.1002/aic.17206
Abstract: Molecular simulation has emerged as an important sub-field of chemical engineering, due in no small part to the leadership of Keith Gubbins. A characteristic of the chemical engineering molecular simulation community is the commitment to… read more here.
Keywords: molecular simulation; chemical engineering; simulation; open source ... See more keywords
Robotic system education for young children by collaborative‐project‐based learning
Sign Up to like & getrecommendations! Published in 2020 at "Computer Applications in Engineering Education"
DOI: 10.1002/cae.22184
Abstract: This paper presents the fusion of project‐based learning (PBL) and collaborative learning (CL) cohesively, coordinated with sensors and Bluetooth advancements, open‐source programming, and open‐source equipment devices, in a specific microcontroller and installed frameworks designing apply… read more here.
Keywords: based learning; project based; course; education ... See more keywords
Open‐source terrestrial laser scanner for the virtualization of geometrical entities in AEC classrooms
Sign Up to like & getrecommendations! Published in 2022 at "Computer Applications in Engineering Education"
DOI: 10.1002/cae.22499
Abstract: This paper depicts a case study that shows an open‐source Terrestrial Laser Scanner (TLS) for use on the virtualization of simple yet precise geometrical entities in AEC classrooms. For bringing this technology to AEC classrooms,… read more here.
Keywords: aec classrooms; laser scanner; terrestrial laser; source terrestrial ... See more keywords
Unpacking the Pathogen Box—An Open Source Tool for Fighting Neglected Tropical Disease
Sign Up to like & getrecommendations! Published in 2019 at "ChemMedChem"
DOI: 10.1002/cmdc.201800755
Abstract: The Pathogen Box is a 400‐strong collection of drug‐like compounds, selected for their potential against several of the world's most important neglected tropical diseases, including trypanosomiasis, leishmaniasis, cryptosporidiosis, toxoplasmosis, filariasis, schistosomiasis, dengue virus and trichuriasis,… read more here.
Keywords: pathogen; drug; pathogen box; open source ... See more keywords
Six Laws of Open Source Drug Discovery
Sign Up to like & getrecommendations! Published in 2019 at "Chemmedchem"
DOI: 10.1002/cmdc.201900565
Abstract: Six to swear by! Society needs effective and affordable medicines. We currently have at our disposal essentially one system to discover and develop drugs, and there are many areas where this system struggles to deliver,… read more here.
Keywords: drug discovery; open source; six laws;
Human cortical amygdala dendrites and spines morphology under open‐source three‐dimensional reconstruction procedures
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Comparative Neurology"
DOI: 10.1002/cne.25430
Abstract: Visualizing nerve cells has been fundamental for the systematic description of brain structure and function in humans and other species. Different approaches aimed to unravel the morphological features of neuron types and diversity. The inherent… read more here.
Keywords: human cortical; reconstruction; cortical amygdala; dendrites spines ... See more keywords
Frapbot: An open‐source application for FRAP data
Sign Up to like & getrecommendations! Published in 2017 at "Cytometry Part A"
DOI: 10.1002/cyto.a.23172
Abstract: We introduce Frapbot, a free‐of‐charge open source software web application written in R, which provides manual and automated analyses of fluorescence recovery after photobleaching (FRAP) datasets. For automated operation, starting from data tables containing columns… read more here.
Keywords: source; source application; application frap; frapbot open ... See more keywords
PatientMatcher: a customizable Python-based open-source tool for matching undiagnosed rare disease patients via the Matchmaker Exchange network.
Sign Up to like & getrecommendations! Published in 2022 at "Human mutation"
DOI: 10.1002/humu.24358
Abstract: The amount of data available from genomic medicine has revolutionized the approach to identify the determinants underlying many rare diseases. The task of confirming a genotype-phenotype causality for a patient affected with a rare genetic… read more here.
Keywords: medicine; open source; disease; network ... See more keywords
PB‐AM: An open‐source, fully analytical linear poisson‐boltzmann solver
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.24528
Abstract: We present the open source distributed software package Poisson‐Boltzmann Analytical Method (PB‐AM), a fully analytical solution to the linearized PB equation, for molecules represented as non‐overlapping spherical cavities. The PB‐AM software package includes the generation… read more here.
Keywords: boltzmann solver; poisson; poisson boltzmann; open source ... See more keywords
CellSys: An open‐source tool for building initial structures for bio‐membranes and drug‐delivery systems
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.26793
Abstract: Since phospholipids are the most important components in the structure of biomembranes, they deserve to be considered with a lot of attention in both experimental and computational theoretical studies using molecular simulation methods related to… read more here.
Keywords: delivery systems; open source; drug delivery; drug ... See more keywords
Libkrylov: A modular open‐source software library for extremely large on‐the‐fly matrix computations
Sign Up to like & getrecommendations! Published in 2023 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.27068
Abstract: We present the design and implementation of libkrylov, an open‐source library for solving matrix‐free eigenvalue, linear, and shifted linear equations using Krylov subspace methods. The primary objectives of libkrylov are flexible API design and modular… read more here.
Keywords: libkrylov modular; modular open; source; software library ... See more keywords