Christopher A. Reynolds

Publication Activity (10 Years)

Years Active: 1997-2021
Publications (10 Years): 4

Top Topics

Semi Supervised

Protein Folding

Statistical Significance

Molecular Dynamics

Top Venues

J. Comput. Chem.

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

Publications

Giuseppe Deganutti, Kerry Barkan, Graham Ladds, Christopher A. Reynolds
Multisite Model of Allosterism for the Adenosine A1 Receptor. J. Chem. Inf. Model. 61 (4) (2021)
Giuseppe Deganutti, Filippo Prischi, Christopher A. Reynolds
Supervised molecular dynamics for exploring the druggability of the SARS-CoV-2 spike protein. J. Comput. Aided Mol. Des. 35 (2) (2021)
Giuseppe Deganutti, Stefano Moro, Christopher A. Reynolds
A Supervised Molecular Dynamics Approach to Unbiased Ligand-Protein Unbinding. J. Chem. Inf. Model. 60 (3) (2020)
Silvia Atanasio, Giuseppe Deganutti, Christopher A. Reynolds
Addressing free fatty acid receptor 1 (FFAR1) activation using supervised molecular dynamics. J. Comput. Aided Mol. Des. 34 (11) (2020)
Christopher J. R. Illingworth, Sree V. Chintapalli, Stefano A. Serapian, Andrew D. Miller, Vaclav Veverka, Mark D. Carr, Christopher A. Reynolds
The statistical significance of selected sense-antisense peptide interactions [J. Comp. Chem. 33, 1440-1447]. J. Comput. Chem. 34 (3) (2013)
Christopher J. R. Illingworth, Sree V. Chintapalli, Stefano A. Serapian, Andrew D. Miller, Vaclav Veverka, Mark D. Carr, Christopher A. Reynolds
The statistical significance of selected sense-antisense peptide interactions. J. Comput. Chem. 33 (16) (2012)
Sree V. Chintapalli, Boon K. Yew, Christopher J. R. Illingworth, Graham J. G. Upton, Philip J. Reeves, Kevin E. B. Parkes, Christopher R. Snell, Christopher A. Reynolds
Closed loop folding units from structural alignments: Experimental foldons revisited. J. Comput. Chem. 31 (15) (2010)
Christopher J. R. Illingworth, Paul D. Scott, Kevin E. B. Parkes, Christopher R. Snell, Matthew P. Campbell, Christopher A. Reynolds
Connectivity and binding-site recognition: Applications relevant to drug design. J. Comput. Chem. 31 (15) (2010)
Christopher J. R. Illingworth, Kevin E. B. Parkes, Christopher R. Snell, Christopher A. Reynolds
Quantitative measurement of protease ligand conformation. J. Comput. Aided Mol. Des. 22 (2) (2008)
Richard I. Maurer, Christopher A. Reynolds
A multilayered approach to approximating solute polarization. J. Comput. Chem. 25 (5) (2004)
Stuart R. Gooding, Peter J. Winn, Richard I. Maurer, György G. Ferenczy, John R. Miller, Jayne E. Harris, D. Vaughan Griffiths, Christopher A. Reynolds
Fully polarizable QM/MM calculations: An application to the nonbonded iodine-oxygen interaction in dimethyl-2-iodobenzoylphosphonate. J. Comput. Chem. 21 (6) (2000)
Jian Hui Wu, Christopher A. Reynolds
Cyclophosphamides as hypoxia-activated diffusible cytotoxins: A theoretical study. J. Comput. Aided Mol. Des. 14 (4) (2000)
Peter J. Winn, György G. Ferenczy, Christopher A. Reynolds
Towards improved force fields: III. Polarization through modified atomic charges. J. Comput. Chem. 20 (7) (1999)
Elsa F. Henriques, Maria João Ramos, Christopher A. Reynolds
Inclusion of conserved buried water molecules in the model structure of rat submaxillary kallikrein. J. Comput. Aided Mol. Des. 12 (6) (1998)
Elsa F. Henriques, Maria João Ramos, Christopher A. Reynolds
Inclusion of conserved buried water molecules in the model structure of rat submaxillary kallikrein. J. Comput. Aided Mol. Des. 11 (6) (1997)