Benjamin A Hall
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Computing clinically relevant binding free energies of HIV-1 protease inhibitors
DW Wright, BA Hall, OA Kenway, S Jha, PV Coveney
Journal of chemical theory and computation 10 (3), 1228-1241, 2014
Dynamite: a simple way to gain insight into protein motions
CP Barrett, BA Hall, MEM Noble
Acta Crystallographica Section D: Biological Crystallography 60 (12), 2280-2287, 2004
Tumor-induced stromal reprogramming drives lymph node transformation
A Riedel, D Shorthouse, L Haas, BA Hall, J Shields
Nature immunology 17 (9), 1118-1127, 2016
Changes in transmembrane helix alignment by arginine residues revealed by solid-state NMR experiments and coarse-grained MD simulations
VV Vostrikov, BA Hall, DV Greathouse, RE Koeppe, MSP Sansom
Journal of the American Chemical Society 132 (16), 5803-5811, 2010
Role of the C-terminal domain in the structure and function of tetrameric sodium channels
C Bagnéris, PG DeCaen, BA Hall, CE Naylor, DE Clapham, CWM Kay, ...
Nature communications 4 (1), 1-10, 2013
Structural flexibility of the macrophage dengue virus receptor CLEC5A: implications for ligand binding and signaling
AA Watson, AA Lebedev, BA Hall, AE Fenton-May, AA Vagin, ...
Journal of Biological Chemistry 286 (27), 24208-24218, 2011
Conformational dynamics of M2 helices in KirBac channels: helix flexibility in relation to gating via molecular dynamics simulations
A Grottesi, C Domene, B Hall, MSP Sansom
Biochemistry 44 (44), 14586-14594, 2005
Conformational dynamics of the ligand-binding domain of inward rectifier K channels as revealed by molecular dynamics simulations: toward an understanding of Kir channel gating
S Haider, A Grottesi, BA Hall, FM Ashcroft, MSP Sansom
Biophysical journal 88 (5), 3310-3320, 2005
Exploring peptide-membrane interactions with coarse-grained MD simulations
BA Hall, AP Chetwynd, MSP Sansom
Biophysical journal 100 (8), 1940-1948, 2011
Epidermal tissue adapts to restrain progenitors carrying clonal p53 mutations
K Murai, G Skrupskelyte, G Piedrafita, M Hall, V Kostiou, SH Ong, T Nagy, ...
Cell stem cell 23 (5), 687-699. e8, 2018
Mechanism of bacterial signal transduction revealed by molecular dynamics of Tsr dimers and trimers of dimers in lipid vesicles
BA Hall, JP Armitage, MSP Sansom
Public Library of Science 8 (9), e1002685, 2012
Lung tumors with distinct p53 mutations respond similarly to p53 targeted therapy but exhibit genotype-specific statin sensitivity
FK Turrell, EM Kerr, M Gao, H Thorpe, GJ Doherty, J Cridge, ...
Genes & development 31 (13), 1339-1353, 2017
Transmembrane helix dynamics of bacterial chemoreceptors supports a piston model of signalling
BA Hall, JP Armitage, MSP Sansom
PLoS computational biology 7 (10), e1002204, 2011
Astrocyte adenosine deaminase loss increases motor neuron toxicity in amyotrophic lateral sclerosis
SP Allen, B Hall, LM Castelli, L Francis, R Woof, AP Siskos, E Kouloura, ...
Brain 142 (3), 586-605, 2019
Coarse-grain simulations reveal movement of the synaptobrevin C-terminus in response to piconewton forces
M Lindau, BA Hall, A Chetwynd, O Beckstein, MSP Sansom
Biophysical journal 103 (5), 959-969, 2012
A helix heterodimer in a lipid bilayer: prediction of the structure of an integrin transmembrane domain via multiscale simulations
AC Kalli, BA Hall, ID Campbell, MSP Sansom
Structure 19 (10), 1477-1484, 2011
Simulations of a protein translocation pore: SecY
S Haider, BA Hall, MSP Sansom
Biochemistry 45 (43), 13018-13024, 2006
Coarse-grained MD simulations and protein− protein interactions: the cohesin− dockerin system
BA Hall, MSP Sansom
Journal of chemical theory and computation 5 (9), 2465-2471, 2009
" Can I Implement Your Algorithm?": A Model for Reproducible Research Software
T Crick, BA Hall, S Ishtiaq
arXiv preprint arXiv:1407.5981, 2014
Sidekick for membrane simulations: automated ensemble molecular dynamics simulations of transmembrane helices
BA Hall, KBA Halim, A Buyan, B Emmanouil, MSP Sansom
Journal of chemical theory and computation 10 (5), 2165-2175, 2014
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