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Alternative online IC50 calculator (www.ic50.org) based on Python, NumPy, SciPy and Matplotlib; ELISA IC50/EC50 Online Tool (link seems broken) IC50 to pIC50 calculator; Online tool for analysis of in vitro resistance to antimalarial drugs; IC50-to-Ki converter of an inhibitor and enzyme that obey classic Michaelis-Menten kinetics
List of free analog and digital electronic circuit simulators, available for Windows, macOS, Linux, and comparing against UC Berkeley SPICE. The following table is split into two groups based on whether it has a graphical visual interface or not.
Proprietary, free academic use, source code Beckman Institute: NWChem: No No Yes Yes No No Yes No No High-performance computational chemistry software, includes quantum mechanics, molecular dynamics and combined QM-MM methods Free open source, Educational Community License version 2.0 NWChem: Protein Local Optimization Program: No Yes Yes Yes ...
commercial and free editions Yes No Partial Yes Yes Automatic or Manual FEM: General purpose for research, engineering and educational use, includes AC, DC and Transient Magnetics, Electrostatics, AC and DC Conduction, Transient Electrics, Heat Transfer and multiphysics COMSOL Multiphysics: commercial Yes Yes Yes Yes Yes Automatic
Lipophilic efficiency [1] (LiPE), sometimes referred to as ligand-lipophilicity efficiency (LLE) is a parameter used in drug design and drug discovery to evaluate the quality of research compounds, linking potency and lipophilicity in an attempt to estimate druglikeness.
Scilab - free open-source software for numerical computation and simulation similar to MATLAB/Simulink. Sim4Life.lite - online version of Sim4Life that is free-of-charge for students for team-learning and online collaboration with classmates and teachers on limited size projects.
Quantum chemistry computer programs are used in computational chemistry to implement the methods of quantum chemistry.Most include the Hartree–Fock (HF) and some post-Hartree–Fock methods.
The software has a graphical and command line interface with integration to a cloud platform for storage and further analyses like relative flux and quantification. [52] ESIprot ESIprot can determine charge state and calculate molecular weight for low resolution electrospray ionization (ESI) mass spectrometry (MS) data of proteins. [53 ...