Ian S. Haworth

Publication Activity (10 Years)

Years Active: 1988-2022
Publications (10 Years): 2

Top Topics

Protein Tertiary Structure

Air Temperature

Virtual Screening

Top Venues

Comput. Phys. Commun.

J. Chem. Inf. Model.

Publications

Noam Morningstar-Kywi, Kaichen Wang, Thomas R. Asbell, Zhaohui Wang, Jason B. Giles, Jiawei Lai, Dab Brill, Brian T. Sutch, Ian S. Haworth
Prediction of Water Distributions and Displacement at Protein-Ligand Interfaces. J. Chem. Inf. Model. 62 (6) (2022)
Dab Brill, Jason B. Giles, Ian S. Haworth, Aiichiro Nakano
WaterAlignment: Identification of displaced water molecules in molecular docking using Jonker and Volgenant shortest path augmentation for linear assignment. Comput. Phys. Commun. 244 (2019)
Yiyu Li, Mámon M. Hatmal, Ralf Langen, Ian S. Haworth
Idealized Models of Protofilaments of Human Islet Amyloid Polypeptide. J. Chem. Inf. Model. 52 (11) (2012)
Yiyu Li, Brian T. Sutch, Huynh-Hoa Bui, Timothy K. Gallaher, Ian S. Haworth
Modeling of the Water Network at Protein-RNA Interfaces. J. Chem. Inf. Model. 51 (6) (2011)
Brian T. Sutch, Eric J. Chambers, Melina Z. Bayramyan, Timothy K. Gallaher, Ian S. Haworth
Similarity of Protein-RNA Interfaces Based on Motif Analysis. J. Chem. Inf. Model. 49 (9) (2009)
Huynh-Hoa Bui, Alexandra J. Schiewe, Ian S. Haworth
WATGEN: An algorithm for modeling water networks at protein-protein interfaces. J. Comput. Chem. 28 (14) (2007)
Tatyana Shamma, Ian S. Haworth
Spermine inhibition of the 2, 5-diaziridinyl-1, 4-benzoquinone (DZQ) crosslinking reaction with DNA duplexes containing poly(purine). poly(pyrimidine) tracts. Nucleic Acids Res. 27 (13) (1999)
Raymond J. Abraham, Guy H. Grant, Ian S. Haworth, Paul E. Smith
Charge calculations in molecular mechanics. Part 8 Partial atomic charges from classical calculations. J. Comput. Aided Mol. Des. 5 (1) (1991)
S. David Morley, Raymond J. Abraham, Ian S. Haworth, David E. Jackson, Martin R. Saunders, Jeremy G. Vinter
COSMIC(90): An improved molecular mechanics treatment of hydrocarbons and conjugated systems. J. Comput. Aided Mol. Des. 5 (5) (1991)
Raymond J. Abraham, Ian S. Haworth
Molecular modelling of poly(aryl ether ketones). I. Aryl··aryl interactions in crystal structures. J. Comput. Aided Mol. Des. 4 (3) (1990)
Raymond J. Abraham, Ian S. Haworth
A modification to the COSMIC parameterisation using ab initio constrained potential functions. J. Comput. Aided Mol. Des. 2 (2) (1988)