David L. Dotson

发表

datreant: persistent, Pythonic trees for heterogeneous data

Oliver Beckstein, Richard Gowers, Sean L. Seyler, 2016, SciPy.

Crystal structure of the sodium–proton antiporter NhaA dimer and new mechanistic insights

Mark S.P. Sansom, Oliver Beckstein, So Iwata, 2014, The Journal of general physiology.

MDAnalysis: A Python Package for the Rapid Analysis of Molecular Dynamics Simulations

Oliver Beckstein, Ian M. Kenney, Richard Gowers, 2016, SciPy.

Solving the Mechanism of Na+/H+ Antiporters Using Molecular Dynamics Simulations

David L. Dotson, 2016 .

Collaborative Assessment of Molecular Geometries and Energies from the Open Force Field

David L. Dotson, S. K. Lakkaraju, Joshua T. Horton, 2022, J. Chem. Inf. Model..

SPICE, A Dataset of Drug-like Molecules and Peptides for Training Machine Learning Potentials

Benjamin P. Pritchard, David L. Dotson, John E. Herr, 2022, Scientific Data.

A two-domain elevator mechanism for sodium/proton antiport

David L. Dotson, S. Iwata, A. Cameron, 2013, Nature.

Crystal structures reveal the molecular basis of ion translocation in sodium/proton antiporters

David L. Dotson, A. Cameron, P. Uzdavinys, 2016, Nature Structural &Molecular Biology.

Mechanism of pH-dependent activation of the sodium-proton antiporter NhaA

Yandong Huang, Oliver Beckstein, Wei Chen, 2016, Nature Communications.

Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs.

Zachary L Glick, Andrew C. Simmonett, Levi N. Naden, 2021, The Journal of chemical physics.

Open Force Field BespokeFit: Automating Bespoke Torsion Parametrization at Scale

David L. Dotson, Joshua A. Mitchell, Joshua T. Horton, 2022, J. Chem. Inf. Model..

Capturing non-local through-bond effects in molecular mechanics force fields: II. Using fractional bond orders to fit torsion parameters

David L. Dotson, Daniel G. A. Smith, Chaya D. Stern, 2022, bioRxiv.

MDAnalysis: A Python Package for the Rapid Analysis of Molecular Dynamics Simulations

Ian M. Kenney, Sean L. Seyler, Richard J. Gowers, 2016, SciPy.

Development and benchmarking of an open, self-consistent force field for proteins and small molecules from the open force field initiative.

Michael R. Shirts, David L. Dotson, Joshua T. Horton, 2023, Biophysical Journal.