Chemaxon - Software Solutions and Services for Chemistry & Biology

Total posts by University of Strathclyde: 4

publication · 2 years ago

Rational Design of Autotaxin Inhibitors by Structural Evolution of Endogenous Modulators

by Andrew J. Morris, Willem-Jan Keune, Frances Potjewyd, Tatjana Heidebrecht, Fernando Salgado-Polo, Simon J. F. Macdonald, Lakshman Chelvarajan, Ahmed Abdel Latif, Sony Soman, Allan J. B. Watson, Craig Jamieson, Anastassis Perrakis (University of Strathclyde, Lexington Veterans Affairs Medical Center, GlaxoSmithKline R&D, The Netherlands Cancer Institute)

publication · 3 years ago

3D matters! 3D-RISM and 3D convolutional neural network for accurate bioaccumulation prediction

by Maksim Misin, Maxim V. Fedorov, David S. Palmer, Sergey Sosnin (University of Tartu, University of Strathclyde, Skolkovo Institute of Science and Technology)

publication · 3 years ago

Communication: Accurate hydration free energies at a wide range of temperatures from 3D-RISM

by Maksim Misin, Maxim V. Fedorov, David S. Palmer (University of Strathclyde)

publication · 9 years ago

Toward Global Metabolomics Analysis with Hydrophilic Interaction Liquid ChromatographyMass Spectrometry: Improved Metabolite Identification by Retention Time Prediction

by Darren J. Creek, Andris Jankevics, Rainer Breitling, David G. Watson, Michael P. Barrett, Karl E. V. Burgess (University of Glasgow, University of Melbourne, University of Groningen, University of Strathclyde)