Browse by UCL people
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Number of items: 3.
Article
Clent, BA;
Wang, Y;
Britton, HC;
Otto, F;
Swain, CJ;
Todd, MH;
Wilden, JD;
(2021)
Molecular Docking with Open Access Software: Development of an Online Laboratory Handbook and Remote Workflow for Chemistry and Pharmacy Master's Students to Undertake Computer-Aided Drug Design.
Journal of Chemical Education
, 98
(9)
pp. 2899-2905.
10.1021/acs.jchemed.1c00289.
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Otto, F;
Chiang, Y-C;
Peláez, D;
(2017)
Accuracy of Potfit-based potential representations and its impact on the performance of (ML-)MCTDH.
Chemical Physics
, 509
pp. 116-130.
10.1016/j.chemphys.2017.11.013.
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Wu, Q;
Huang, T;
Xia, S;
Otto, F;
Lee, TY;
Huang, HD;
Chiang, YC;
(2022)
On the force field optimisation of β -lactam cores using the force field Toolkit.
Journal of Computer-Aided Molecular Design
10.1007/s10822-022-00464-3.
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