Solutions
Software and service solutions for academics
Academics
Software for research
Flexible licensing terms are available for software used for academic research, including for PhD studies. We actively encourage academic groups using Cresset software to publish their results and we're grateful to the academic community for their many software citations.
Software for teaching
3D modeling software can accelerate students’ understanding and bring the subject to life for them. Concepts such as the impact of shape and electrostatics on ligand-protein binding are easier to explain and communicate using 3D visualization software, especially when the students can use it themselves. Our flexible licensing options put 3D visualization software such as Flare Viewer within the reach of most academic communities worldwide.
Collaborative research
Cresset Discovery Services can provide or enhance the computational chemistry component of your research project. Our team of expert scientists has worked on a wide number of academic projects, many of which have been written up as case studies or in academic papers.
Working together from the early stages of a project means that we can help with research applications and funding proposals.
Academic code
We have a track record of collaborating with academics to build code into Cresset computational chemistry environments, providing convenience, connectivity, usability, validation and support. For example, WaterSwap is a widely used method for predicting the free energy of binding. It's implemented in SIRE, an open source molecular simulation environment developed by Dr Chris Woods at the University of Bristol. Cresset licensed WaterSwap from Dr Woods and it is now included in Flare, our structure-based design solution.
Request a free confidential discussiOn about licensIng your code to Cresset
Academics
Introducing Flare™ to our group has transformed the way we work. Whereas we used to have multiple steps between various applications, we now have a single, intuitive, interface for molecular dynamics and Electrostatic Complementarity™. It's because the Cresset academic licensing package was recommended to me that I requested an evaluation, and I recommend others do the same.
Dr David Holley, Molecular Computation Core Facility, University of Montana, USA
My students and I enjoyed using Forge in our drug design class. The simple and well designed GUI makes Forge easy to use. Students found it very helpful to understand how two seemingly different molecules superimpose with each other.
Randy Lin, Shenyang Pharmaceutical University, China
Visualizing the inhibitor/substrate binding site of protein crystal structure in Cresset using field points calculated by XED force field is very informative.
Dr. Prija Ponnan, Department of Chemistry, University of Delhi
The protocols for all the modules in Cresset are very quick and easy to use. Forge™ and Spark™ are excellent programs for LBDD. The radial plots obtained from alignment methods implemented in Forge provide a visual inspection of results and could be effectively used for simultaneously comparing any number of physical properties for the compounds in the dataset.
Dr. Prija Ponnan, Department of Chemistry, University of Delhi
I strongly believe that Cresset software is an important inclusion in the spectrum of software programs used for Computer Aided Drug Discovery paradigm.
Dr. Prija Ponnan, Department of Chemistry, University of Delhi
Working with Cresset tools has helped me generate new ideas for my projects in various disease areas. The molecular visualization has made it easier to communicate my ideas to my experimental collaborators, both chemists and biologists. The Activity Miner™ module has contributed a lot to our understanding of the activity cliffs. I am very satisfied with the support provided by Cresset scientists and staff.
Dr Anupriya Kumar, WPI Postdoc Fellow, ITbM Nagoya University, Japan
I am delighted to recommend Cresset tools, especially, for drug discovery projects and projects involving detailed analysis of the data sets to get novel IP.
Dr Anupriya Kumar, WPI Postdoc Fellow, ITbM Nagoya University, Japan
Considering the absence of an experimental structure, the field based concept was a perfect match for our work. It helped us obtain bioactive conformations of ligands based on a validated pharmacophore. The software provided by Cresset is user easy and user friendly, creative and flexible for a new starter to an experienced researcher to use. We congratulate the Cresset team and hope to publish our work soon.
Yaseen Gigani / Prof. Kamlesh Asotra, School of Biosciences, Apeejay Stya University, India
Our students who use the Cresset systems in their projects tend to gain an affinity with a number of med-chem concepts far earlier than those who do strictly organic projects, for example using Spark™ to identify new frameworks that possess favorable properties and which can then be synthesized in the lab via a novel reaction. Compounds can be tracked and the student can invoke field patterns and orbital coefficients to explain changes to NMR spectra.
Dr Raj Gosain, University of Southampton, UK
Cresset’s software gives new insight to projects I’ve been working on for the past three to four years. I specifically use it to see how proteins, DNA and molecules interact and bind to each other. If we can design drug molecules that will bind to DNA the same way proteins do, we can open up whole new lines of therapy.
Dr Daniel Barr, Assistant Professor of Biochemistry, Department of Chemistry and Biochemistry, Utica College, USA
Cresset is supportive of academic research and they’ve been wonderful to work with to get everything up and running.
Dr Daniel Barr, Assistant Professor of Biochemistry, Department of Chemistry and Biochemistry, Utica College, USA
We successfully used FieldTemplater™ to generate the field point representation of a first generation CA inhibitor compound.
Simon Cocklin, Drexel University, USA