Követés
Nazanin Donyapour
Nazanin Donyapour
Axle Informatics
E-mail megerősítve itt: axleinfo.com
Cím
Hivatkozott rá
Hivatkozott rá
Év
REVO: Resampling of ensembles by variation optimization
N Donyapour, NM Roussey, A Dickson
The Journal of chemical physics 150 (24), 2019
552019
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
92021
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
92021
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
52018
Predicting the Properties of Ligands Using Molecular Dynamics and Machine Learning
N Donyapour
Michigan State University, 2022
22022
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
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