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5 results in Keywords: design

Theoretical and Computational Chemistry

Rapid, Accurate, Ranking of Protein-Ligand Binding Affinities with VM2, the 2nd –Generation Mining Minima Method

Michael K. Gilson, Lawrence E. Stewart, Michael J. Potter, Simon P. Webb

Version 3 posted 10 July 2024

735

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Biological and Medicinal Chemistry

Redesigned GAP to activate oncogenic GAP

Dénes Berta, Sascha Gehrke, Kinga Nyíri, Beáta G Vértessy, Edina Rosta

Version 2 posted 20 February 2023

436

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1

Citations

Theoretical and Computational Chemistry

NUPACK: Analysis and Design of Nucleic Acid Structures, Devices, and Systems

Mark E. Fornace, Jining Huang, Cody T. Newman, Nicholas J. Porubsky, Marshall B. Pierce, Niles A. Pierce

Version 1 posted 11 November 2022

3,792

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10

Citations

Chemical Education

Design and Development of a Video Game to Assess Problem-Solving Competence in Chemistry Education

Amany Annaggar, Rüdiger Tiemann

Version 1 posted 26 August 2019

1,037

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Theoretical and Computational Chemistry

Scaffold Hopping with Generative Reinforcement Learning

Luke Rossen, Finton Sirockin, Nadine Schneider, Francesca Grisoni

Version 1 posted 17 December 2024

277

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