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List of works by Jim Warwicker

A Hypothesis Describing a Potential Link between Molecular Structure and TSE Strains ⬇️

scientific article published on September 8, 1997

A biochemical analysis of the constraints of tail-anchored protein biogenesis.

scientific article published on June 2011

A model for pH coupling of the SARS-CoV-2 spike protein open/closed equilibrium

publication published on 01 March 2021

A model for prion protein dimerisation based on alpha-helical packing

scientific article published on 01 September 1996

A molecular model for interfacial activation in phospholipase A2

scientific article published on 01 March 1997

A molecular model for the redox potential difference between thioredoxin and DsbA, based on electrostatics calculations

scientific article published on 01 June 1995

A protein chimera strategy supports production of a model "difficult-to-express" recombinant target

scientific article published on 03 July 2018

A quantitative molecular model for modulation of mammalian translation by the eIF4E-binding protein 1.

scientific article

A second eIF4E protein in Schizosaccharomyces pombe has distinct eIF4G-binding properties.

scientific article

A theoretical study of the acidification of the rhinovirus capsid.

scientific article published on November 1989

Active site identification through geometry-based and sequence profile-based calculations: burial of catalytic clefts

scientific article published on 25 April 2005

Anomalies in the ionic properties of serum albumin

scientific article

Biochemical and genetic evidence for a family of heterotrimeric G-proteins in Trichomonas vaginalis.

scientific article

Breaking and restoring the hydrophobic core of a centromere-binding protein.

scientific article published on 23 February 2015

Calculation of Cys 30 delta pKa's and oxidising power for DsbA mutants

scientific article published on 01 April 1996

Calculation of the electric potential in the active site cleft due to alpha-helix dipoles

scientific article published on 01 June 1982

Changes in activity of porcine phospholipase A2 brought about by charge engineering of a major structural element to alter stability

scientific article published on 01 December 1991

Charge environments around phosphorylation sites in proteins

scientific article

Charged residues next to transmembrane regions revisited: "Positive-inside rule" is complemented by the "negative inside depletion/outside enrichment rule"

scientific article

Computational Tools for Interpreting Ion Channel pH-Dependence

scientific article published on 27 April 2015

Continuum dielectric modelling of the protein-solvent system, and calculation of the long-range electrostatic field of the enzyme phosphoglycerate mutase.

scientific article published on July 1986

Deciphering complex patterns of class-I HLA-peptide cross-reactivity via hierarchical grouping

scientific article published on 24 February 2015

Delineation of RAID1, the RACK1 interaction domain located within the unique N-terminal region of the cAMP-specific phosphodiesterase, PDE4D5.

scientific article

Determination of Protein-Protein Interactions in a Mixture of Two Monoclonal Antibodies

scientific article published on 11 November 2019

Does Substrate Positioning Affect the Selectivity and Reactivity in the Hectochlorin Biosynthesis Halogenase?

scientific article published on 30 October 2018

Effect of phosphorylation on alpha-helix stability as a function of position.

scientific article published in February 2002

Electrostatic calculations and model-building suggest that DNA bound to CAP is sharply bent

scientific article published on 01 January 1987

Electrostatic field of the large fragment of Escherichia coli DNA polymerase I

scientific article published on 01 December 1985

Energetic Calculations to Decipher pH-Dependent Oligomerization and Domain Swapping of Proteins

scientific article published on 4 June 2015

Energetic Fingerprinting of Ligand Binding to Paralogous Proteins: The Case of the Apoptotic Pathway

scientific article published on 09 January 2019

Energetics and Dynamics Across the Bcl-2-Regulated Apoptotic Pathway Reveal Distinct Evolutionary Determinants of Specificity and Affinity

scientific article published on 17 October 2016

Erratum to: Charged residues next to transmembrane regions revisited: "Positive-inside rule" is complemented by the "negative inside depletion/outside enrichment rule".

scientific article published on 18 August 2017

Evidence for the adaptation of protein pH-dependence to subcellular pH.

scientific article

Features of reactive cysteines discovered through computation: from kinase inhibition to enrichment around protein degrons.

scientific article published on 27 November 2017

Freezing and folding behavior in simple off-lattice heteropolymers.

scientific article published in June 2004

How do metal ions modulate the rate-determining electron transfer step in Cytochrome P450 reactions?

scientific article published on 06 August 2020

Identification of a very large Rab GTPase family in the parasitic protozoan Trichomonas vaginalis

scientific article

Improved continuum electrostatic modelling in proteins, with comparison to experiment.

scientific article published in February 1994

Improved pKa calculations through flexibility based sampling of a water-dominated interaction scheme.

scientific article published in October 2004

Improving pKa calculations with consideration of hydration entropy

scientific article published on 01 July 1997

Increased activity of porcine pancreatic phospholipase A2 by designed long-range electrostatic stabilisation of the transition state

scientific article published on 01 November 1995

Interfacial Adsorption of Monoclonal Antibody COE-3 at the Solid/Water Interface.

scientific article published on 7 December 2017

Local control of a disorder-order transition in 4E-BP1 underpins regulation of translation via eIF4E.

scientific article

Lysine and arginine content of proteins: computational analysis suggests a new tool for solubility design.

scientific article

Mechanisms for stabilisation and the maintenance of solubility in proteins from thermophiles

scientific article

Model for Counterion Binding and Charge Reversal on Protein Surfaces

scientific article published on 09 January 2020

Model for the differential stabilities of rhinovirus and poliovirus to mild acidic pH, based on electrostatics calculations ⬇️

scientific article published on January 5, 1992

Modeling a prion protein dimer: predictions for fibril formation

scientific article published on 01 November 2000

Modeling based on the structure of vicilins predicts a histidine cluster in the active site of oxalate oxidase.

scientific article

Modeling charge interactions and redox properties in DsbA

scientific article published in Journal of Biological Chemistry

Modelling charge interactions in the prion protein: predictions for pathogenesis

scientific article published on 01 April 1999

Modelling the pH-dependent Properties of Kv1 Potassium Channels

scientific article published on 22 February 2007

Models for Antibody Behavior in Hydrophobic Interaction Chromatography and in Self-Association

scientific article published on 23 November 2018

Modification of the stability of phospholipase A2 by charge engineering

scientific article published on 01 April 1991

Neutron Reflection Study of Surface Adsorption of Fc, Fab, and the Whole mAb.

scientific article published on 14 June 2017

Pathophysiologic Changes in Extracellular pH Modulate Parathyroid Calcium-Sensing Receptor Activity and Secretion via a Histidine-Independent Mechanism

scientific article

Polyunsaturated fatty acids inhibit Kv1.4 by interacting with positively charged extracellular pore residues

scientific article published on 8 June 2016

Positional editing of transmembrane domains during ion channel assembly

scientific article published on 10 December 2012

Predicted pH-dependent stability of SARS-CoV-2 spike protein trimer from interfacial acidic groups

scientific article published on 02 September 2021

Prediction of Reduction Potentials of Copper Proteins with Continuum Electrostatics and Density Functional Theory.

scientific article

Prediction of pKa and redox properties in the thioredoxin superfamily.

scientific article published on 31 August 2004

Progress in the prediction of pKa values in proteins

scientific article published on 15 October 2011

Proofreading of substrate structure by the Twin-Arginine Translocase is highly dependent on substrate conformational flexibility but surprisingly tolerant of surface charge and hydrophobicity changes

scientific article published on 9 September 2016

Protein-Sol: A web tool for predicting protein solubility from sequence.

scientific article published on 29 May 2017

Protein-protein interactions in paralogues: Electrostatics modulates specificity on a conserved steric scaffold.

scientific article published on 10 October 2017

Reorientation of the first signal-anchor sequence during potassium channel biogenesis at the Sec61 complex.

scientific article published on December 2013

Sequence and Structural Features of Enzymes and their Active Sites by EC Class

scientific article published on 10 December 2008

Sequence composition predicts immunoglobulin superfamily members that could share the intrinsically disordered properties of antibody CH1 domains

scientific article published on 29 September 2017

Side-chain conformational entropy at protein-protein interfaces.

scientific article

Simplified methods for pKa and acid pH-dependent stability estimation in proteins: removing dielectric and counterion boundaries.

scientific article published on February 1999

SitesIdentify: a protein functional site prediction tool

scientific article

Soluble expression of proteins correlates with a lack of positively-charged surface

scientific article published on 26 November 2013

Species barriers in a model for specific prion protein dimerisation

scientific article published on 01 March 1997

Specific Ion and Buffer Effects on Protein–Protein Interactions of a Monoclonal Antibody

article

Structure and mechanism of the bifunctional CinA enzyme from Thermus thermophilus

scientific article published on 13 October 2014

Subcellular pH and predicted pH-dependent features of proteins

scientific article published on 01 June 2006

Surface patches on recombinant erythropoietin predict protein solubility: engineering proteins to minimise aggregation

scientific article published on 09 May 2019

TAPAS-1, a novel microdomain within the unique N-terminal region of the PDE4A1 cAMP-specific phosphodiesterase that allows rapid, Ca2+-triggered membrane association with selectivity for interaction with phosphatidic acid

scientific article (publication date: 2 August 2002)

Temperature-dependent study reveals that dynamics of hydrophobic residues plays an important functional role in the mitochondrial Tim9-Tim10 complex.

scientific article published on 17 November 2011

The RACK1 scaffold protein: a dynamic cog in cell response mechanisms

scientific article

The activity of porcine pancreatic phospholipase A2 in 20% alcohol/aqueous solvent, by experiment and electrostatics calculations.

scientific article published in February 1994

The association of BAG6 with SGTA and tail-anchored proteins

scientific article

The effect of charge mutations on the stability and aggregation of a human single chain Fv fragment.

scientific article published in February 2017

The role of electrostatics in protein-protein interactions of a monoclonal antibody.

scientific article published on 18 June 2014

The transcriptional regulator CprK detects chlorination by combining direct and indirect readout mechanisms.

scientific article

Visualization of poly(ADP-ribose) bound to PARG reveals inherent balance between exo- and endo-glycohydrolase activities

scientific article

Volume-based solvation models out-perform area-based models in combined studies of wild-type and mutated protein-protein interfaces.

scientific article published on 21 October 2008

Web-based display of protein surface and pH-dependent properties for assessing the developability of biotherapeutics

scientific article published in Scientific Reports

pKa predictions with a coupled finite difference Poisson-Boltzmann and Debye-Hückel method.

scientific article published on 9 June 2011

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