Project Offers - Collaborations
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DrugAge database of compounds that increase lifespan
Biomedical Sciences Liverpool August 24, 2015 Check with publisherWe're starting a new database of drugs and compounds (including natural products) with anti-ageing properties that extend longevity in model organisms. The database will be called DrugAge, and although we have some data already, we are looking for da...
Listings
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Validation Essentials for Medical Device Manufacturers - IQ, OQ, PQ
Clinical/Medical Sciences san Jose (california) February 16, 2021 Check with publisherThis course will cover validation essentials for medical device manufacturers. Attendees will learn about what processes needed to be validated and what steps you need to take to validate processes. You’ll learn the essentials of validation planning,...
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QM/MM Simulation
Biomedical Sciences (United States ) February 2, 2021 Check with publisherHigh-precision QM/MM calculation is a multi-scale calculation method to study ligand binding. By using quantum chemistry representing ligands combined with molecular mechanics to characterize proteins and solvents, modeling time can be greatly reduce...
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Density Functional Theory Calculation
Biomedical Sciences (United States ) February 2, 2021 Check with publisherComputaBio provides custom density functional theory calculation service to global scientists, helping them to accelerate their drug development projects. To get a free quotation from our bioinformaticians, visit https://www.computabio.com/density-fu...
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Molecular Electrostatic Potential (MEP) Calculation
Biomedical Sciences (United States ) February 2, 2021 Check with publisherComputaBio's bioinformaticians can provide efficient molecular electrostatic potential (MEP) calculation service for global clients. We use a variety of density functional theory (DFT) methods and Ab initio methods to study the electrostatic potentia...
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Natural Bond Orbit Analysis
Biomedical Sciences (United States ) February 2, 2021 Check with publisherComputaBio can provide you with custom NBO analysis service. We can easily find out the number of atoms in the calculated molecules, the type and composition of various molecular orbitals, and the intramolecular and intermolecular hyperconjugate inte...
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Nonlinear Optical Properties Analysis
Biomedical Sciences (United States ) February 2, 2021 Check with publisherComputaBio provides you with custom nonlinear optical properties analysis service. We use ab initio calculations (HF, MP2) and density functional theory (B3LYP) on the theoretical level, using the coupled perturbation method (CPHF), finite field meth...
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Chemical Isomers Calculation
Biomedical Sciences (United States ) February 2, 2021 Check with publisherComputaBio provides custom chemical isomers calculation service to both domestic and international clients. We are proud to help you to expedite your drug development projects. We use Ab initio quantum chemistry methods to conduct the calculation. To...
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Thermodynamic Properties Analysis
Biomedical Sciences (United States ) February 2, 2021 Check with publisherComputaBio uses Gausisan03 software package to complete all molecular orbital theory and density functional theory calculations. We can provide you with thermodynamic properties analysis service in the following aspects: 1. Internal energy 2. Enthalp...
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Chemical Reaction Mechanism Calculation
Biomedical Sciences (United States ) February 2, 2021 Check with publisherComputaBio provides professional calculation services in the reaction mechanism using quantum chemistry methods. we deliver efficient service with short project period and accurate data. To send your inquiry or learn more about ComputaBio's chemical ...
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IR Spectrum Prediction
Biomedical Sciences (United States ) February 2, 2021 Check with publisherComputaBio provides custom IR spectrum prediction service to both domestic and international scientists, helping them to study the vibrational and rotational spectra of molecules. To learn more about ComputaBio's efficient IR spectrum prediction serv...
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Ab Initio Quantum Chemistry Methods
Biomedical Sciences (United States ) February 2, 2021 Check with publisherAb initio quantum chemistry methods attempt to solve the electronic Schrödinger equation given the positions of the nuclei and the number of electrons in order to yield useful information such as electron densities, energies and other properties of t...
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Chemical Shift Calculation
Biomedical Sciences (United States ) February 2, 2021 Check with publisherComputaBio provides custom chemical reaction mechanism calculation service to both domestic and international clients. We use quantum chemistry methods to predict the chemical shift of the compound, and obtain the error range of different theoretical...
