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whatUseek Directory Site Listings:
B: On-line Molecular Modeling
- "B" (formerly known as Biomer) is a java-based molecular modeling program for small organic molecules and biopolymers. Supports nucleic acids (DNA/RNA), polypeptides, polysaccharides, the AMBER force field, geometry optimization, simulated annealing. Exports jpeg, gif, and ppm images.
Computational Chemistry List
- A resource for computational chemists. Discussions on chemistry software, data, conferences, jobs, quantum chemistry, molecular mechanics, molecular dynamics, QSAR, molecular graphics, molecular modeling, and associated archives
Computational Chemistry Project
- Web-based computational chemistry courses, as well as a number of other resources for computational chemistry and molecular modelling.
Computational Chemistry and Organic Synthesis
- A course to introduce computational chemistry to synthetic-organic chemists, who would like to understand why they got the product they got and not (always) the compound they wanted.
First Principles Research, Inc.
- Research Theorists in Physics and Chemistry.
InfraWeb - On-line calculation of chemical equilibrium
- Calculation of complex chemical equilibrium in real and ideal gases through the WEB.
Merz Research Group
- The Merz research group strives to understand the relationships between structure and function of biomolecules from a quantum mechanical standpoint.
- Java applet that allows viewing of molecular dynamics animations of peptide and protein models.
Oak Ridge National Lab Polymer Science Group
- Contains information about the ORNL Polymer Science Group and its programs and research projects.
Optimal Thermodynamic Calculation
- Optimal Thermodynamic Calculation of Distillation Column through the WEB.
- Sparkle model for the quantum chemical MOPAC calculation of metals complexes.
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