Ian S. Haworth

Orcid: 0000-0002-3873-0899

According to our database1, Ian S. Haworth authored at least 11 papers between 1988 and 2022.

Collaborative distances:
  • Dijkstra number2 of four.
  • Erdős number3 of four.

Timeline

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PhD thesis 
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Links

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Bibliography

2022
Prediction of Water Distributions and Displacement at Protein-Ligand Interfaces.
J. Chem. Inf. Model., 2022

2019
WaterAlignment: Identification of displaced water molecules in molecular docking using Jonker and Volgenant shortest path augmentation for linear assignment.
Comput. Phys. Commun., 2019

2012
Idealized Models of Protofilaments of Human Islet Amyloid Polypeptide.
J. Chem. Inf. Model., 2012

2011
Modeling of the Water Network at Protein-RNA Interfaces.
J. Chem. Inf. Model., 2011

2009
Similarity of Protein-RNA Interfaces Based on Motif Analysis.
J. Chem. Inf. Model., 2009

2007
WATGEN: An algorithm for modeling water networks at protein-protein interfaces.
J. Comput. Chem., 2007

1999
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., 1999

1991
COSMIC(90): An improved molecular mechanics treatment of hydrocarbons and conjugated systems.
J. Comput. Aided Mol. Des., 1991

Charge calculations in molecular mechanics. Part 8 Partial atomic charges from classical calculations.
J. Comput. Aided Mol. Des., 1991

1990
Molecular modelling of poly(aryl ether ketones). I. Aryl··aryl interactions in crystal structures.
J. Comput. Aided Mol. Des., 1990

1988
A modification to the COSMIC parameterisation using ab initio constrained potential functions.
J. Comput. Aided Mol. Des., 1988


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