In recognition of the 10th International Women and Girls in Science Day on 11th February, a few of our colleagues share their personal moments of inspiration from the past year, working at the forefront of computational chemistry.

“As a Scientist at Cresset, I am modelling molecular systems to generate hypothesis of protein-ligand complexes and low-energy states that are essential to accurately predict their binding affinities. Our contribution to guide chemical modifications leads to key milestones in drug design projects that could offer new hope for patients.
I am proud to be part of this team, and happy that our scientific topic was highlighted by the 2024 Nobel Prize in Chemistry, awarded to David Baker ‘for computational protein design’ and to Dennis Hassabis and John Jumper ‘for protein structure prediction’.”
Natercia Braz
Scientist, Discovery

“A highlight for me this year is seeing children and teens (particularly my own!) being enthused by science. I’ve attended sixth form open days for my oldest child and been reminded of the topics and experiments that ignited my interest in science, and I’ve been delighted to see that my child shares similar interests. I found myself full of admiration for the teachers at these open days who had prepared a range of hands-on experiments to further inspire the next generation of scientists, the student representatives we spoke to who had clearly already caught the science bug and the younger student visitors ready to be initiated!”
Susan Henderson
Head of Support

“As a Marketing Manager who began my career as a Chemist 30 years ago, I have been inspired by many varied experiences. Since transitioning to commercial roles across the scientific field, a real stand-out moment was visiting a Mohs clinic to write a case study on their use of our instruments to improve treatment time. I watched a patient have surgery and leave free of cancer the same day – made possible through the products we produced!
In the present day, seeing my Step-daughter begin to study medicine, and her passion for science is just fantastic!”
Helen Johnstone
Senior Marketing Manager

“In my role as an application scientist, with a background in medicinal chemistry, I feel enthused by the customers I work with and the science they do. On a recent trip to Boston, US, it was awe-inspiring to see so many pharma and biotech names around the city, and think of all the great science happening there. By meeting my customers face-to-face, listening to them, and helping them use our software to advance their drug discovery processes, I hope that we can expedite the creation of new medicines that can change people’s lives, and it’s really exciting to be part of that.”
Mari Goldsmith
Senior Application Scientist

“Recently I have been very enthused about a new addition to our products: Absolute Free Energy. This is like relative Free Energy Perturbation that we already implement as Flare FEP, but different in that the alchemical transformation is not from ligand ‘A’ to ‘B’ but in transforming the ligand away into ‘nothing’. An essential commonality between relative and absolute FEP is solving a thermodynamic cycle: computationally less tractable routes can be avoided in favour for the more do-able. Implications are if you can figure out solving the relevant thermodynamic cycle you can do all sort of ‘alchemy’ to expediate your drug discovery. From a physics and philosophy perspective this is fascinating, with, in the case of ABFE very real-life ramifications: exploring diverse ligand structures, protein selectivity and drug resistance, and testing charge states, to name a few.”
Jenny Brookes
Senior Application Scientist

“One of the moments that truly sparked my enthusiasm for my career in science was attending a major conference in my field. It was inspiring to see so many brilliant minds come together to share their latest research and innovations. The discussions were thought-provoking, and they highlighted the immense potential of science to drive change and solve real-world problems.
Additionally, being involved in academic outreach programs, where I had the chance to explain scientific software to younger students or fellow researchers, has been incredibly rewarding. It’s amazing to see their curiosity and excitement grow, and it reminds me of why I chose this path—to make science more accessible and inspire the next generation of researchers.”
Awantika Shrivastava
Academic Program Manager