REVO: Resampling of ensembles by variation optimization N Donyapour, NM Roussey, A Dickson The Journal of chemical physics 150 (24), 2019 | 56 | 2019 |
Predicting partition coefficients for the SAMPL7 physical property challenge using the ClassicalGSG method N Donyapour, A Dickson Journal of computer-aided molecular design 35 (7), 819-830, 2021 | 9 | 2021 |
ClassicalGSG: Prediction of log P using classical molecular force fields and geometric scattering for graphs N Donyapour, M Hirn, A Dickson Journal of computational chemistry 42 (14), 1006-1017, 2021 | 9 | 2021 |
Structural insights into lethal contractural syndrome type 3 (LCCS3) caused by a missense mutation of PIP5Kγ X Zeng, A Uyar, D Sui, N Donyapour, D Wu, A Dickson, J Hu Biochemical Journal 475 (14), 2257-2269, 2018 | 6 | 2018 |
Predicting the Properties of Ligands Using Molecular Dynamics and Machine Learning N Donyapour Michigan State University, 2022 | 2 | 2022 |
Flexible Topology: A Dynamic Model of a Continuous Chemical Space N Donyapour, F Fathi Niazi, NM Roussey, S Bose, A Dickson Journal of Chemical Theory and Computation 19 (15), 5088-5098, 2023 | | 2023 |
Flexible Topology: A new method for dynamic drug design N Donyapour, FF Niazi, N Roussey, S Bose, A Dickson | | 2023 |
Wepy: Tool for exploring rough free energy landscapes S Lotz, N Donyapour, N Roussey, T Dixon, A Dickson ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |