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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

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Craig Wagner

2 results in Authors: Craig Wagner

Biological and Medicinal Chemistry

Efficient Ligand Discovery Using Sulfur(VI) Fluoride Reactive Fragments

Arron Aatkar, Aini Vuorinen, Oliver Longfield, Katharine Gilbert, Rachel Peltier-Heap, Craig Wagner, Francesca Zappacosta, Katrin Rittinger, Chun-wa Chung, David House, Nicholas Tomkinson, Jacob Bush

Version 2 posted 15 December 2022

1,234

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Theoretical and Computational Chemistry

Collaborative assessment of molecular geometries and energies from the Open Force Field

Lorenzo D'Amore, David Hahn, David Dotson, Joshua Horton, Jamshed Anwar, Ian Craig, Thomas Fox, Alberto Gobbi, Sirish Kaushik Lakkaraju, Xavier Lucas, Katharina Meier, David Mobley, Arjun Narayanan, Christina Schindler, William Swope, Pieter in 't Veld, Jeffrey Wagner, Bai Xue, Gary Tresadern

Version 1 posted 04 November 2022

525

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