David Dotson

Open Geospatial Consortium — United States

Biochemistry, Genetics and Molecular Biology · Life Sciences

16h-index3.6kcitations78works4.52yr avg
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Research Topics

Protein Structure and Dynamics(19), Machine Learning in Materials Science(11), Computational Drug Discovery Methods(9), Mass Spectrometry Techniques and Applications(7), Ion Transport and Channel Regulation(6)

Publications77 total

Design Aid for Selection of H-Piles
DFI Journal The Journal of the Deep Foundations Institute·2024
alchemlyb: the simple alchemistry library
The Journal of Open Source Software·2024· 23 citedOpen Access
Benchmarking Quantum Mechanical Levels of Theory for Valence Parametrization in Force Fields
The Journal of Physical Chemistry B·2024· 9 citedOpen Access
Benchmarking Quantum Mechanical Levels of Theory for Valence Parametrization in Force Fields
2024· 1 citedOpen Access
SPICE 2.0.1
Zenodo (CERN European Organization for Nuclear Research)·2024Open Access
Benchmarking Quantum Mechanical Levels of Theory for Valence Parametrization in Force Fields
2024· 1 citedOpen Access
Benchmarking Quantum Mechanical Levels of Theory for Valence Parametrization in Force Fields
2024· 2 citedOpen Access
Development and benchmarking of a self-consistent force field for proteins and small molecules from open force field
Biophysical Journal·2024Open Access
Tuning Potential Functions to Host–Guest Binding Data
Journal of Chemical Theory and Computation·2023· 9 citedOpen Access
Tuning Potential Functions to Host–Guest Binding Data
2023Open Access
Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors
Science·2023· 159 citedOpen Access
Tuning Potential Functions to Host–Guest Binding Data
2023· 1 citedOpen Access
Conditions at the interface between the space elevator tether and its climber
Acta Astronautica·2023· 2 citedOpen Access
Optical genome mapping identifies a novel pediatric embryonal tumor with a <i>ZNF532::NUTM1</i> fusion
The Journal of Pathology·2023· 7 citedOpen Access
Development and Benchmarking of Open Force Field 2.0.0: The Sage Small Molecule Force Field
Journal of Chemical Theory and Computation·2023· 167 citedOpen Access
The Climber-Tether Interface of the Space Elevator
2023· 2 citedOpen Access
Development and benchmarking of an open, self-consistent force field for proteins and small molecules from the open force field initiative
Biophysical Journal·2023· 1 citedOpen Access
Development and Benchmarking of Open Force Field 2.0.0 — the Sage Small Molecule Force Field
2023· 21 citedOpen Access
SPICE, A Dataset of Drug-like Molecules and Peptides for Training Machine Learning Potentials
Scientific Data·2023· 137 citedOpen Access
Collaborative Assessment of Molecular Geometries and Energies from the Open Force Field
2022Open Access
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Frequent Co-authors

David L. Mobley(18), Joshua T. Horton(16), Pavan Kumar Behara(15), John D. Chodera(15), Jeffrey Wagner(14), Simon Boothroyd(13), Lee‐Ping Wang(13), Oliver Beckstein(12), Daniel J. Cole(10), Christopher I. Bayly(10), Trevor Gokey(9), David F. Hahn(7), Hyesu Jang(7), Michael K. Gilson(7), Jamshed Anwar(7), Alexander D. Cameron(6), David Drew(6), Michael R. Shirts(6), Richard Gowers(5), Peter Eastman(5)