List of works - Phillip J. Stansfeld

A BEST example of channel structure annotation by molecular simulation.

scientific article published on 20 March 2017

A Coarse Grained Model for a Lipid Membrane with Physiological Composition and Leaflet Asymmetry

scientific article published on 14 December 2015

A Mass-Spectrometry-Based Approach to Distinguish Annular and Specific Lipid Binding to Membrane Proteins

scientific article published on 29 January 2020

A bipartite structural organization defines the SERINC family of HIV-1 restriction factors

scientific article published on 06 January 2020

A conserved tryptophan at the membrane-water interface acts as a gatekeeper for Kir6.2/SUR1 channels and causes neonatal diabetes when mutated.

scientific article published on 3 May 2011

A heuristic derived from analysis of the ion channel structural proteome permits the rapid identification of hydrophobic gates

scientific article published on 24 June 2019

A leucine zipper motif essential for gating of hyperpolarization-activated channels.

scientific article published on 9 October 2012

A lipid gating mechanism for the channel-forming O antigen ABC transporter

scientific article published on 18 February 2019

Activation gating of hERG potassium channels: S6 glycines are not required as gating hinges.

scientific article published on 6 September 2007

An outer-pore gate modulates the pharmacology of the TMEM16A channel

scientific article published on 01 August 2021

Assembling the Tat protein translocase

scientific article published on 3 December 2016

Atomistic mechanism of transmembrane helix association

scientific article published on 04 June 2020

Balancing Force Field Protein-Lipid Interactions To Capture Transmembrane Helix-Helix Association

scientific article published on 9 February 2018

Biophysical and computational studies of membrane penetration by the GRP1 pleckstrin homology domain.

scientific article

CG2AT2: an Enhanced Fragment-Based Approach for Serial Multi-scale Molecular Dynamics Simulations

scientific article published on 07 September 2021

Calmodulin Regulates Human Ether à Go-Go 1 (hEAG1) Potassium Channels through Interactions of the Eag Domain with the Cyclic Nucleotide Binding Homology Domain

scientific journal article

Characterizing Membrane Association and Periplasmic Transfer of Bacterial Lipoproteins through Molecular Dynamics Simulations

scientific article published on 10 February 2020

Complete structure of the chemosensory array core signalling unit in an E. coli minicell strain

scientific article published on 06 February 2020

Computational studies of membrane proteins: from sequence to structure to simulation

scientific article

Conformational dynamics of a G protein-coupled receptor helix 8 in lipid membranes

scientific article published on 14 August 2020

Convergence and Sampling in Determining Free Energy Landscapes for Membrane Protein Association.

scientific article

Cryo-EM Structures of CusA Reveal a Mechanism of Metal-Ion Export

scientific article published on 05 April 2021

Crystal structure of undecaprenyl-pyrophosphate phosphatase and its role in peptidoglycan biosynthesis.

scientific article published on 14 March 2018

Deciphering ion transport and ATPase coupling in the intersubunit tunnel of KdpFABC

scientific article published on 24 August 2021

Dimerization of the EphA1 receptor tyrosine kinase transmembrane domain: Insights into the mechanism of receptor activation.

scientific article published on 17 October 2014

Direct gating of ATP-activated ion channels (P2X2 receptors) by lipophilic attachment at the outer end of the second transmembrane domain

scientific article published on 22 November 2013

Drug block of the hERG potassium channel: insight from modeling.

scientific article published on August 2007

Dynamics of an LPS translocon induced by substrate and an antimicrobial peptide

scientific article published on 16 November 2020

From Coarse Grained to Atomistic: A Serial Multiscale Approach to Membrane Protein Simulations

scientific article published on 16 March 2011

High-resolution reconstruction of a Jumbo-bacteriophage infecting capsulated bacteria using hyperbranched tail fibers

scientific article published in 2022

Identification and assessment of cardiolipin interactions with inner membrane proteins

In Situ Structure of an Intact Lipopolysaccharide-Bound Bacterial Surface Layer

scientific article published on 26 December 2019

Insight into the mechanism of inactivation and pH sensitivity in potassium channels from molecular dynamics simulations.

scientific article published on 18 June 2008

Insights into Membrane Protein-Lipid Interactions from Free Energy Calculations

scientific article published on 17 September 2019

Insights into bacterial cell division from a structure of EnvC bound to the FtsX periplasmic domain

scientific article published on 23 October 2020

Interaction of lipids with the neurotensin receptor 1.

scientific article

Interactions of a Bacterial Cu(I)-ATPase with a Complex Lipid Environment

scientific article published on 27 June 2018

Interactions of the EphA2 Kinase Domain with PIPs in Membranes: Implications for Receptor Function. ⬇️

scientific article

Ion-blocking sites of the Kir2.1 channel revealed by multiscale modeling.

scientific article published in September 2009

Lipid binding attenuates channel closure of the outer membrane protein OmpF ⬇️

article published in the Proceedings of the National Academy of Sciences of the United States of America

Lipidbook: a public repository for force-field parameters used in membrane simulations.

scientific article

Lipopolysaccharide is inserted into the outer membrane through an intramembrane hole, a lumen gate, and the lateral opening of LptD.

scientific article published on 12 February 2015

Mechanism of lipid droplet formation by the yeast Sei1/Ldb16 Seipin complex

scientific article published on 08 October 2021

MemProtMD: Automated Insertion of Membrane Protein Structures into Explicit Lipid Membranes.

scientific article

Molecular mechanisms for drug interactions with hERG that cause long QT syndrome.

scientific article published on February 2006

Molecular modeling and simulation studies of ion channel structures, dynamics and mechanisms.

scientific article published in January 2008

Molecular simulation approaches to membrane proteins.

scientific article

Multiple lipid binding sites determine the affinity of PH domains for phosphoinositide-containing membranes

scientific article published on 19 February 2020

Multiscale simulations reveal conserved patterns of lipid interactions with aquaporins.

scientific article published on 18 April 2013

New insights into KATP channel gene mutations and neonatal diabetes mellitus

scientific article published on 06 May 2020

PIP(2)-binding site in Kir channels: definition by multiscale biomolecular simulations.

scientific article published on November 2009

Peptidoglycan biosynthesis is driven by lipid transfer along enzyme-substrate affinity gradients

scholarly article

Sharing Data from Molecular Simulations

scientific article published on 11 October 2019

Side pockets provide the basis for a new mechanism of Kv channel-specific inhibition.

scientific article

Simulation-based prediction of phosphatidylinositol 4,5-bisphosphate binding to an ion channel.

scientific article

Simulations of the BM2 proton channel transmembrane domain from influenza virus B

scientific article published on 01 October 2009

Structural Analysis of the G-Box Domain of the Microcephaly Protein CPAP Suggests a Role in Centriole Architecture

scientific article

Structural analysis of P. falciparum KAHRP and PfEMP1 complexes with host erythrocyte spectrin suggests a model for cytoadherent knob protrusions.

scientific article published on 14 August 2017

Structural basis for outer membrane lipopolysaccharide insertion

scientific article

Structural basis for substrate specificity and regulation of nucleotide sugar transporters in the lipid bilayer

scientific article published on 11 October 2019

Structural basis of lipoprotein signal peptidase II action and inhibition by the antibiotic globomycin

scientific article

Structural basis of outer membrane protein insertion by the BAM complex

scientific article

Structural basis of proton-coupled potassium transport in the KUP family

scientific article published on 31 January 2020

Structural biology of Tat protein transport

scientific article published on 05 April 2014

Structural determinants for high-affinity block of hERG potassium channels.

scientific article

Structural insights into the mechanism of the membrane integral N-acyltransferase step in bacterial lipoprotein synthesis

scientific article

Structure and dynamics of the E. coli chemotaxis core signaling complex by cryo-electron tomography and molecular simulations

scientific article published on 10 January 2020

Structure and function of the Escherichia coli Tol-Pal stator protein TolR.

scientific article published on 9 September 2015

Structure and mechanism of bactericidal mammalian perforin-2, an ancient agent of innate immunity

scientific article published on 29 January 2020

Structure of the TatC core of the twin-arginine protein transport system

scientific article

Structures of monomeric and oligomeric forms of the Toxoplasma gondii perforin-like protein 1.

scientific article published on 21 March 2018

Substrate-triggered position switching of TatA and TatB during Tat transport in Escherichia coli

scientific article published on August 2017

Switching Cytolytic Nanopores into Antimicrobial Fractal Ruptures by a Single Side Chain Mutation

scientific article published on 22 April 2021

Ternary structure reveals mechanism of a membrane diacylglycerol kinase

scientific article

The MemProtMD database: a resource for membrane-embedded protein structures and their lipid interactions

scientific article published on 01 January 2019

The TatC component of the twin-arginine protein translocase functions as an obligate oligomer

scientific article

The centriolar protein CPAP G-box: an amyloid fibril in a single domain

scientific article

The energetics of protein-lipid interactions as viewed by molecular simulations

scientific article published on 01 February 2020

The molecular basis for an allosteric inhibition of K-flux gating in K channels

scientific article published on 26 February 2019

The pore structure and gating mechanism of K2P channels.

scientific article

The response of the tandem pore potassium channel TASK-3 (K(2P)9.1) to voltage: gating at the cytoplasmic mouth.

scientific article published on 24 August 2009

The role of interfacial lipids in stabilizing membrane protein oligomers.

scientific article published on 11 January 2017

The selectivity, voltage-dependence and acid sensitivity of the tandem pore potassium channel TASK-1: contributions of the pore domains.

scientific article published on June 2007

The structural basis of ZMPSTE24-dependent laminopathies

scientific article

The structural basis of lipid scrambling and inactivation in the endoplasmic reticulum scramblase TMEM16K

scientific article published on 02 September 2019

Water and hydrophobic gates in ion channels and nanopores

scientific article published on 01 September 2018

List of works by Phillip J. Stansfeld

A BEST example of channel structure annotation by molecular simulation.

A Coarse Grained Model for a Lipid Membrane with Physiological Composition and Leaflet Asymmetry

A Mass-Spectrometry-Based Approach to Distinguish Annular and Specific Lipid Binding to Membrane Proteins

A bipartite structural organization defines the SERINC family of HIV-1 restriction factors

A conserved tryptophan at the membrane-water interface acts as a gatekeeper for Kir6.2/SUR1 channels and causes neonatal diabetes when mutated.

A heuristic derived from analysis of the ion channel structural proteome permits the rapid identification of hydrophobic gates

A leucine zipper motif essential for gating of hyperpolarization-activated channels.

A lipid gating mechanism for the channel-forming O antigen ABC transporter

Activation gating of hERG potassium channels: S6 glycines are not required as gating hinges.

An outer-pore gate modulates the pharmacology of the TMEM16A channel

Assembling the Tat protein translocase

Atomistic mechanism of transmembrane helix association

Balancing Force Field Protein-Lipid Interactions To Capture Transmembrane Helix-Helix Association

Biophysical and computational studies of membrane penetration by the GRP1 pleckstrin homology domain.

CG2AT2: an Enhanced Fragment-Based Approach for Serial Multi-scale Molecular Dynamics Simulations

Calmodulin Regulates Human Ether à Go-Go 1 (hEAG1) Potassium Channels through Interactions of the Eag Domain with the Cyclic Nucleotide Binding Homology Domain

Characterizing Membrane Association and Periplasmic Transfer of Bacterial Lipoproteins through Molecular Dynamics Simulations

Complete structure of the chemosensory array core signalling unit in an E. coli minicell strain

Computational studies of membrane proteins: from sequence to structure to simulation

Conformational dynamics of a G protein-coupled receptor helix 8 in lipid membranes

Convergence and Sampling in Determining Free Energy Landscapes for Membrane Protein Association.

Cryo-EM Structures of CusA Reveal a Mechanism of Metal-Ion Export

Crystal structure of undecaprenyl-pyrophosphate phosphatase and its role in peptidoglycan biosynthesis.

Deciphering ion transport and ATPase coupling in the intersubunit tunnel of KdpFABC

Dimerization of the EphA1 receptor tyrosine kinase transmembrane domain: Insights into the mechanism of receptor activation.

Direct gating of ATP-activated ion channels (P2X2 receptors) by lipophilic attachment at the outer end of the second transmembrane domain

Drug block of the hERG potassium channel: insight from modeling.

Dynamics of an LPS translocon induced by substrate and an antimicrobial peptide

From Coarse Grained to Atomistic: A Serial Multiscale Approach to Membrane Protein Simulations

High-resolution reconstruction of a Jumbo-bacteriophage infecting capsulated bacteria using hyperbranched tail fibers

Identification and assessment of cardiolipin interactions with inner membrane proteins

In Situ Structure of an Intact Lipopolysaccharide-Bound Bacterial Surface Layer

Insight into the mechanism of inactivation and pH sensitivity in potassium channels from molecular dynamics simulations.

Insights into Membrane Protein-Lipid Interactions from Free Energy Calculations

Insights into bacterial cell division from a structure of EnvC bound to the FtsX periplasmic domain

Interaction of lipids with the neurotensin receptor 1.

Interactions of a Bacterial Cu(I)-ATPase with a Complex Lipid Environment

Interactions of the EphA2 Kinase Domain with PIPs in Membranes: Implications for Receptor Function. ⬇️

Ion-blocking sites of the Kir2.1 channel revealed by multiscale modeling.

Lipid binding attenuates channel closure of the outer membrane protein OmpF ⬇️

Lipidbook: a public repository for force-field parameters used in membrane simulations.

Lipopolysaccharide is inserted into the outer membrane through an intramembrane hole, a lumen gate, and the lateral opening of LptD.

Mechanism of lipid droplet formation by the yeast Sei1/Ldb16 Seipin complex

MemProtMD: Automated Insertion of Membrane Protein Structures into Explicit Lipid Membranes.

Molecular mechanisms for drug interactions with hERG that cause long QT syndrome.

Molecular modeling and simulation studies of ion channel structures, dynamics and mechanisms.

Molecular simulation approaches to membrane proteins.

Multiple lipid binding sites determine the affinity of PH domains for phosphoinositide-containing membranes

Multiscale simulations reveal conserved patterns of lipid interactions with aquaporins.

New insights into KATP channel gene mutations and neonatal diabetes mellitus

PIP(2)-binding site in Kir channels: definition by multiscale biomolecular simulations.

Peptidoglycan biosynthesis is driven by lipid transfer along enzyme-substrate affinity gradients

Sharing Data from Molecular Simulations

Side pockets provide the basis for a new mechanism of Kv channel-specific inhibition.

Simulation-based prediction of phosphatidylinositol 4,5-bisphosphate binding to an ion channel.

Simulations of the BM2 proton channel transmembrane domain from influenza virus B

Structural Analysis of the G-Box Domain of the Microcephaly Protein CPAP Suggests a Role in Centriole Architecture

Structural analysis of P. falciparum KAHRP and PfEMP1 complexes with host erythrocyte spectrin suggests a model for cytoadherent knob protrusions.

Structural basis for outer membrane lipopolysaccharide insertion

Structural basis for substrate specificity and regulation of nucleotide sugar transporters in the lipid bilayer

Structural basis of lipoprotein signal peptidase II action and inhibition by the antibiotic globomycin

Structural basis of outer membrane protein insertion by the BAM complex

Structural basis of proton-coupled potassium transport in the KUP family

Structural biology of Tat protein transport

Structural determinants for high-affinity block of hERG potassium channels.

Structural insights into the mechanism of the membrane integral N-acyltransferase step in bacterial lipoprotein synthesis

Structure and dynamics of the E. coli chemotaxis core signaling complex by cryo-electron tomography and molecular simulations

Structure and function of the Escherichia coli Tol-Pal stator protein TolR.

Structure and mechanism of bactericidal mammalian perforin-2, an ancient agent of innate immunity

Structure of the TatC core of the twin-arginine protein transport system

Structures of monomeric and oligomeric forms of the Toxoplasma gondii perforin-like protein 1.

Substrate-triggered position switching of TatA and TatB during Tat transport in Escherichia coli

Switching Cytolytic Nanopores into Antimicrobial Fractal Ruptures by a Single Side Chain Mutation

Ternary structure reveals mechanism of a membrane diacylglycerol kinase

The MemProtMD database: a resource for membrane-embedded protein structures and their lipid interactions

The TatC component of the twin-arginine protein translocase functions as an obligate oligomer

The centriolar protein CPAP G-box: an amyloid fibril in a single domain

The energetics of protein-lipid interactions as viewed by molecular simulations

The molecular basis for an allosteric inhibition of K-flux gating in K channels