Software and services for academics

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 in Torch 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 within a TorchLite template 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 (now known as Forge) to generate the field point representation of a first generation CA inhibitor compound.

Simon Cocklin, Drexel University, USA