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Disambiguation of "Mobley, David L."

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Is Ring Breaking Feasible in Relative Binding Free Energy Calculations?

, , and . Journal of Chemical Information and Modeling, 55 (4): 727-735 (2015)

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David L Dowdey

David L Weakliem

David L Largent

L Bräuer

L Solymosi

 

Other publications of authors with the same name

Predicting binding free energies: frontiers and benchmarks, and . Annual review of biophysics, (2017)Let's get honest about sampling.. J. Comput. Aided Mol. Des., 26 (1): 93-95 (2012)Evaluation of log P, pKa, and log D predictions from the SAMPL7 blind challenge., , , , , , , , and . J. Comput. Aided Mol. Des., 35 (7): 771-802 (2021)Comparison of affinity ranking using AutoDock-GPU and MM-GBSA scores for BACE-1 inhibitors in the D3R Grand Challenge 4., , , , , , , , , and . J. Comput. Aided Mol. Des., 33 (12): 1011-1020 (2019)Overview of the SAMPL6 host-guest binding affinity prediction challenge., , , , , , , , , and 1 other author(s). J. Comput. Aided Mol. Des., 32 (10): 937-963 (2018)Erratum to: Lessons learned from comparing molecular dynamics engines on the SAMPL5 dataset., , , , , , , and . J. Comput. Aided Mol. Des., 31 (8): 777 (2017)SAMPL7 protein-ligand challenge: A community-wide evaluation of computational methods against fragment screening and pose-prediction., , , , , , and . J. Comput. Aided Mol. Des., 36 (4): 291-311 (2022)Overview of the SAMPL6 pKa challenge: evaluating small molecule microscopic and macroscopic pKa predictions., , , , , and . J. Comput. Aided Mol. Des., 35 (2): 131-166 (2021)Hydration Free Energies in the FreeSolv Database Calculated with Polarized Iterative Hirshfeld Charges., , , , , and . J. Chem. Inf. Model., 58 (9): 1779-1797 (2018)To Design Scalable Free Energy Perturbation Networks, Optimal Is Not Enough., , , and . J. Chem. Inf. Model., 63 (6): 1776-1793 (March 2023)