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5 results in Authors: Brandon Walker

Theoretical and Computational Chemistry

E2EDNA: Simulation Protocol for DNA Aptamers with Ligands

Michael Kilgour, Tao Liu, Brandon Walker, Pengyu Ren, Lena Simine

Version 1 posted 21 June 2021

534

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Theoretical and Computational Chemistry

Implicit Solvents for the Polarizable Atomic Multipole AMOEBA Force Field

Rae Corrigan, Guowei Qi, Andrew Thiel, Jack Lynn, Brandon Walker, Thomas Casavant, Louis Lagardère, Jean-Philip Piquemal, Jay Ponder, Pengyu Ren, Michael Schnieders

Version 1 posted 17 December 2020

586

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Inorganic Chemistry

Single-step synthesis of a heterometallic [Cu2PdL4]2+ lantern-type coordination cage

Shannon Thoonen, Samuel Walker, Samuel Brandon, Kellie Tuck, David Turner

Version 1 posted 19 March 2024

321

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1

Citations

Theoretical and Computational Chemistry

SmartGraph API: Programmatic Knowledge Mining in Network- Pharmacology Setting

Gergely Zahoránszky-Kőhalmi, Brandon Walker, Nathan Miller, Brett Yang, Dhatri V. L. Penna, Jessica Binder, Timothy Sheils, Ke Wang, Jennifer King, Hythem Sidky, Sridhar Vuyyuru, Jeyaraman Soundarajan, Samuel G. Michael, Alexander G. Godfrey, Tudor I. Oprea

Version 1 posted 17 January 2024

152

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Theoretical and Computational Chemistry

Path Toward High-Throughput Synthesis Planning via Performance Benchmarking

Brandon Walker, Nathan Miller, Brett Yang, Dhatri V. L. Penna, Sridhar Vuyyuru, Jeyaraman Soundararajan, Ilia Vorontcov, Andrew Girvin, Amin Mannaa, Maya Choudhury, Hailey Fox, Mihir Bafna, Eduardo Luiggi Lopez, Hugo Hernandez, Jennifer King, Thierry Masquelin, Samuel G. Michael, Alexander G. Godfrey, Gergely Zahoránszky-Kőhalmi

Version 1 posted 12 August 2024

188

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