Search Results for "solvent"
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Showing 12 open source projects for "solvent"
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Institutions throughout the world use CYPHER Learning as their tool of choice to manage all classroom activities. CYPHER Learning is used by organizations ranging from large universities such as STI in the Philippines, school districts such as Santa Barbara Unified School District, to small schools with 20 students in Spain.
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Regroup Mass Notification empowers better mass communication that keeps people safe and informed at all times. The company’s award-winning, cloud-based mass communication platform is what clients across North America and around the globe rely on to send both emergency and day-to-day communications to millions of people. By enabling one-click messaging to mobile devices, landlines, social media, email, websites, and more, Regroup Mass Notification helps organizations keep people safe, strengthen operational resilience, mitigate risk, and thrive in an increasingly unpredictable world.
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CS-NPSA
Nonpolar Surface Area from Continuum Solvation
The Continuum Solvation Nonpolar Surface Area (CS-NPSA) package is a general purpose program suite for defining and computing nonpolar surface areas based on continuum solvation models. It is based on the classification of individual surface elements representing the solvent accessible surface used for the description of the polarized charge density elements in the CS models. -
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APBS
Biomolecular electrostatics software
This software has moved to http://www.poissonboltzmann.org/. -
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TARQUIN
MRS/NMR analysis software
Analysis software for MRS/NMR data. Allows processing and fitting to be performed in a fully automatic workflow. -
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pyMDMix
Molecular dynamics with aqueous-organic solvent mixtures
This python package aims to help people set up and analyze molecular dynamics simulations in aqueous-organic solvent mixtures. See D. Alvarez-Garcia et al. Journal of Medicinal Chemistry, 2014. -
Localize is a no-code translation solution for SaaS companies, allowing you to easily translate your web app, UI, website, docs, and more.
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GROsolEv4.5
Calculates pairwise energies from Gromacs simulations.
Calculates intermolecular energies for solvent-solvent interactions, for solvent confined to environments a few angstroms in diameter. Algorithm uses a spherical approximation to describe the confined environments geometry. -
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SABLE is a public domain package for structural bioinformatics that can be used to predict from amino acid sequence secondary structure and solvent accessibility profiles in proteins (see Adamczak, Porollo and Meller, Proteins 56, 2004).
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sphrheo
SPH add-on to LAMMPS for the rheology of Non-Newtonian liquids
This package comprises a set of add-ons to the popular LAMMPS molecular dynamics software to study the rheology of Non-Newtonian liquids with moving boundaries. Licensed under the GPL, this software is free to use and reproduce under the same terms. It is simple to install and extend. At the current stage, it provides libraries for strain-rate dependent viscosity, a dynamic stress model (Rolie-Poly), and the inclusion of colloidal particles in a viscoelastic solvent. -
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piv_clustering
structural clustering of atomic trajectories based on PIV
This program allows to perform a structural cluster analysis of atomic trajectories obtained, e.g., from molecular dynamics simulations. At variance with other approaches, it is possible to analyse also processes in solution, e.g., chemical reactions in liquid water, since the distance metric is based on a Permutation Invariant Vector (PIV) that is symmetric under exchange of identical atoms or molecules, including on the same footing both solute and solvent degrees of freedom. The approach... -
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PreDyJE
PreDyJE is a python tool to calculate dehydrons in a protein.
PreDyJE is a python tool to calculate dehydrons in a protein PDB. Dehydrons are solvent-exposed hydrogen bonds. It runs in command-line, but a Pymol script has been developed as well. Dehydrons can be visualized in Pymol with another plugin. Structure of the program is available in the documentation. -
QuantaStor is a unified Software-Defined Storage platform designed to scale up and out to make storage management easy while reducing overall enterprise storage costs.
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Protein Stability
VIRTUAL QUANTIFICATION OF PROTEIN STABILITY
... is a first program of its kind, developed to explore the energy requirement of each amino acid in the protein sequence derived from various applied kinetic and thermodynamic quantities. The algorithm is strongly dependent both on kinetic quantities such as atomic solvation energies and solvent accessible surface area and thermodynamic quantities viz. enthalpy, entropy, heat capacity, etc. The hydrophobicity pattern of protein was considered as the important component of protein stabilization. A program -
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The Solvent is a cross-browser AJAX application toolkit written in JavaScript. The Solvent is provided as modules or as an entire toolkit. The projects focus is to promote robust web applications and enable rapid web development.
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POllution PRevention Of Processes - optimizes chemical processes towards pollution prevention (a. solvent selection, b. waste minimization), when basic process data is given
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