Chris Neale
TitleCited byYear
Statistical convergence of equilibrium properties in simulations of molecular solutes embedded in lipid bilayers
C Neale, WFD Bennett, DP Tieleman, R Pomes
Journal of Chemical Theory and Computation 7 (12), 4175-4188, 2011
1562011
The tumor suppressor activity of SOCS-1
R Rottapel, S Ilangumaran, C Neale, J La Rose, JMY Ho, MHH Nguyen, ...
Oncogene 21 (28), 4351, 2002
1512002
Improved structural characterizations of the drkN SH3 domain unfolded state suggest a compact ensemble with native-like and non-native structure
JA Marsh, C Neale, FE Jack, WY Choy, AY Lee, KA Crowhurst, ...
Journal of molecular biology 367 (5), 1494-1510, 2007
1102007
Characterization of disordered proteins with ENSEMBLE
M Krzeminski, JA Marsh, C Neale, WY Choy, JD Forman-Kay
Bioinformatics 29 (3), 398-399, 2012
932012
Computational approaches to the rational design of nanoemulsions, polymeric micelles, and dendrimers for drug delivery
L Huynh, C Neale, R Pomès, C Allen
Nanomedicine: nanotechnology, biology and medicine 8 (1), 20-36, 2012
842012
An iris-like mechanism of pore dilation in the CorA magnesium transport system
N Chakrabarti, C Neale, J Payandeh, EF Pai, R Pomès
Biophysical journal 98 (5), 784-792, 2010
832010
CD28 regulates the translation of Bcl-xL via the phosphatidylinositol 3-kinase/mammalian target of rapamycin pathway
LX Wu, J La Rose, L Chen, C Neale, T Mak, K Okkenhaug, R Wange, ...
The Journal of Immunology 174 (1), 180-194, 2005
762005
Accelerating convergence in molecular dynamics simulations of solutes in lipid membranes by conducting a random walk along the bilayer normal
C Neale, C Madill, S Rauscher, R Pomes
Journal of chemical theory and computation 9 (8), 3686-3703, 2013
712013
PagP crystallized from SDS/cosolvent reveals the route for phospholipid access to the hydrocarbon ruler
JA Cuesta-Seijo, C Neale, MA Khan, J Moktar, CD Tran, RE Bishop, ...
Structure 18 (9), 1210-1219, 2010
652010
Indolicidin binding induces thinning of a lipid bilayer
C Neale, JCY Hsu, CM Yip, R Pomès
Biophysical journal 106 (8), L29-L31, 2014
622014
Gauging a hydrocarbon ruler by an intrinsic exciton probe
M Adil Khan, C Neale, C Michaux, R Pomes, GG Privé, RW Woody, ...
Biochemistry 46 (15), 4565-4579, 2007
552007
Sampling errors in free energy simulations of small molecules in lipid bilayers
C Neale, R Pomès
Biochimica et Biophysica Acta (BBA)-Biomembranes 1858 (10), 2539-2548, 2016
532016
Simulated tempering distributed replica sampling, virtual replica exchange, and other generalized-ensemble methods for conformational sampling
S Rauscher, C Neale, R Pomes
Journal of chemical theory and computation 5 (10), 2640-2662, 2009
482009
Can specific protein-lipid interactions stabilize an active state of the beta 2 adrenergic receptor?
C Neale, HD Herce, R Pomès, AE García
Biophysical journal 109 (8), 1652-1662, 2015
432015
Mechanistic insights into allosteric regulation of the A 2A adenosine G protein-coupled receptor by physiological cations
L Ye, C Neale, A Sljoka, B Lyda, D Pichugin, N Tsuchimura, ST Larda, ...
Nature communications 9 (1), 1372, 2018
292018
A solution NMR approach to the measurement of amphiphile immersion depth and orientation in membrane model systems
MS Al-Abdul-Wahid, C Neale, R Pomes, RS Prosser
Journal of the American Chemical Society 131 (18), 6452-6459, 2009
292009
Systematic design of unimolecular star copolymer micelles using molecular dynamics simulations
L Huynh, C Neale, R Pomès, C Allen
Soft Matter 6 (21), 5491-5501, 2010
252010
Equilibrium exchange enhances the convergence rate of umbrella sampling
C Neale, T Rodinger, R Pomès
Chemical Physics Letters 460 (1-3), 375-381, 2008
232008
Hydrophobic Gating of Ion Permeation in Magnesium Channel CorA
C Neale, N Chakrabarti, P Pomorski, EF Pai, R Pomès
PLoS Computational Biology 11 (7), e1004303, 2015
222015
Peptide bond isomerization in high-temperature simulations
C Neale, R Pomès, AE García
Journal of chemical theory and computation 12 (4), 1989-1999, 2016
132016
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Articles 1–20