| 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 | 201 | 2011 |
| KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation TH Tran, AH Chan, LC Young, L Bindu, C Neale, S Messing, ... Nature communications 12 (1), 1176, 2021 | 180 | 2021 |
| 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 | 171 | 2018 |
| The tumor suppressor activity of SOCS-1 R Rottapel, S Ilangumaran, C Neale, J La Rose, JMY Ho, MHH Nguyen, ... Oncogene 21 (28), 4351-4362, 2002 | 170 | 2002 |
| Characterization of disordered proteins with ENSEMBLE M Krzeminski, JA Marsh, C Neale, WY Choy, JD Forman-Kay Bioinformatics 29 (3), 398-399, 2013 | 165 | 2013 |
| 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 | 160 | 2012 |
| 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 | 143 | 2007 |
| 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 | 109 | 2016 |
| 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 | 104 | 2010 |
| Indolicidin binding induces thinning of a lipid bilayer C Neale, JCY Hsu, CM Yip, R Pomès Biophysical journal 106 (8), L29-L31, 2014 | 101 | 2014 |
| 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 | 100 | 2013 |
| 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 | 97 | 2005 |
| Molecular recognition of RAS/RAF complex at the membrane: Role of RAF cysteine-rich domain T Travers, CA López, QN Van, C Neale, M Tonelli, AG Stephen, ... Scientific reports 8 (1), 8461, 2018 | 90 | 2018 |
| Capturing phase behavior of ternary lipid mixtures with a refined martini coarse-grained force field TS Carpenter, CA López, C Neale, C Montour, HI Ingólfsson, F Di Natale, ... Journal of chemical theory and computation 14 (11), 6050-6062, 2018 | 78 | 2018 |
| A massively parallel infrastructure for adaptive multiscale simulations: modeling RAS initiation pathway for cancer F Di Natale, H Bhatia, TS Carpenter, C Neale, S Kokkila-Schumacher, ... Proceedings of the International Conference for High Performance Computing …, 2019 | 77 | 2019 |
| 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 | 77 | 2010 |
| 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 | 73 | 2015 |
| Machine learning–driven multiscale modeling reveals lipid-dependent dynamics of RAS signaling proteins HI Ingólfsson, C Neale, TS Carpenter, R Shrestha, CA López, TH Tran, ... Proceedings of the National Academy of Sciences 119 (1), e2113297119, 2022 | 72 | 2022 |
| 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 | 66 | 2007 |
| 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 | 60 | 2009 |
Régis PomèsHospital for Sick ChildrenVerified email at sickkids.ca
