Daniel J. Cole

Publication Activity (10 Years)

Years Active: 2011-2022
Publications (10 Years): 3

Top Topics

Active Contours

Gradient Vector Flow

Top Venues

J. Chem. Inf. Model.

J. Comput. Chem.

Publications

Joshua T. Horton, Simon Boothroyd, Jeffrey Wagner, Joshua A. Mitchell, Trevor Gokey, David L. Dotson, Pavan Kumar Behara, Venkata Krishnan Ramaswamy, Mark Mackey, John D. Chodera, Jamshed Anwar, David L. Mobley, Daniel J. Cole
Open Force Field BespokeFit: Automating Bespoke Torsion Parametrization at Scale. J. Chem. Inf. Model. 62 (22) (2022)
Lauren Nelson, Sofia Bariami, Chris Ringrose, Joshua T. Horton, Vadiraj Kurdekar, Antonia S. J. S. Mey, Julien Michel, Daniel J. Cole
Implementation of the QUBE Force Field in SOMD for High-Throughput Alchemical Free-Energy Calculations. J. Chem. Inf. Model. 61 (5) (2021)
Joshua T. Horton, Alice E. A. Allen, Leela S. Dodda, Daniel J. Cole
QUBEKit: Automating the Derivation of Force Field Parameters from Quantum Mechanics. J. Chem. Inf. Model. 59 (4) (2019)
Louis P. Lee, Daniel J. Cole, Mike C. Payne, Chris-Kriton Skylaris
Natural bond orbital analysis in the ONETEP code: Applications to large protein systems. J. Comput. Chem. 34 (6) (2013)
Daniel J. Cole, Eeson Rajendra, Meredith Roberts-Thomson, Bryn Hardwick, Grahame J. McKenzie, Mike C. Payne, Ashok R. Venkitaraman, Chris-Kriton Skylaris
Interrogation of the Protein-Protein Interactions between Human BRCA2 BRC Repeats and RAD51 Reveals Atomistic Determinants of Affinity. PLoS Comput. Biol. 7 (7) (2011)