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Works (9)

Computational molecular explanation of Soybean AHAS resistance from P197S mutation

Plant Physiology and Biochemistry
2023-08 | Journal article
DOI: 10.1016/j.plaphy.2023.107782
Contributors: Rustem Ustun; Gordon Chalmers; Daniel Tehrani; Bulent Uzun
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Introducing ligand GA, a genetic algorithm molecular tool for automated protein inhibitor design

Scientific Reports
2022-12-03 | Journal article
DOI: 10.1038/s41598-022-22281-2
Contributors: Gordon Chalmers
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Computational molecular explanation of Soybean AHAS resistance from P197S mutation

2022-11-17 | Preprint
DOI: 10.26434/chemrxiv-2022-jmwz1
Contributors: Gordon Chalmers; Rustem Ustun; Daniel Tehrani; Bulent Uzun
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Computational molecular modeling of Paxlovid binding

2022-06-29 | Preprint
DOI: 10.26434/chemrxiv-2022-vfn6t
Contributors: Gordon Chalmers
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Dynamic docking in protein-ligand modeling

2022-06-28 | Preprint
DOI: 10.26434/chemrxiv-2022-6m0q5
Contributors: Gordon Chalmers
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Computational Study of Paxlovid in Ligand GA

2022-02-10 | Preprint
DOI: 10.26434/chemrxiv-2022-p2phq
Contributors: Gordon Chalmers
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Ligand GA: a genetic algorithm for automated protein inhibitor design

2021-10-12 | Preprint
DOI: 10.1101/2021.10.11.463970
Contributors: Gordon Chalmers
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A common binding motif in the ET domain of BRD3 forms polymorphic structural interfaces with host and viral proteins

Structure
2021-08 | Journal article
DOI: 10.1016/j.str.2021.01.010
Contributors: Sriram Aiyer; G.V.T. Swapna; Li-Chung Ma; Gaohua Liu; Jingzhou Hao; Gordon Chalmers; Brian C. Jacobs; Gaetano T. Montelione; Monica J. Roth
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A common binding motif in the ET domain of BRD3 forms polymorphic structural interfaces with host and viral proteins

2020-09-21 | Preprint
DOI: 10.1101/2020.09.21.306696
Contributors: Sriram Aiyer; G.V.T. Swapna; Li-Chung Ma; Gaohua Liu; Jingzhou Hao; Gordon Chalmers; Brian C. Jacobs; Gaetano T. Montelione; Monica J. Roth
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