Chris Neale

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Régis PomèsHospital for Sick ChildrenAdresse e-mail validée de sickkids.ca
Angel E GarciaCenter for Non Linear Studies, Los Alamos National LaboratoryAdresse e-mail validée de lanl.gov
"Gnana" S. GnanakaranLos Alamos National LabsAdresse e-mail validée de lanl.gov
Andrew StephenFrederick National Laboratory for Cancer ResearchAdresse e-mail validée de mail.nih.gov
Robert Scott ProsserChemistry, Biochemistry, University of TorontoAdresse e-mail validée de utoronto.ca
Libin YeAssociate Professor at University of South Florida and H. Lee Moffitt Cancer CenterAdresse e-mail validée de usf.edu
Julie D Forman-KayHospital for Sick Children; University of TorontoAdresse e-mail validée de sickkids.ca
César A LópezResearch associate-Los alamos national laboratoryAdresse e-mail validée de lanl.gov
Loan HuynhSenior Bioinformatics Research ScientistAdresse e-mail validée de newmexicoconsortium.org
Joseph A MarshProfessor of Computational Protein Biology, University of EdinburghAdresse e-mail validée de ed.ac.uk
(James) Wing-Yiu ChoyWestern UniversityAdresse e-mail validée de uwo.ca
Russell BishopAssociate Professor of Biochemistry, McMaster UniversityAdresse e-mail validée de mcmaster.ca
Rottapel RScientist, Princess Margaret Cancer CentreAdresse e-mail validée de uhnresearch.ca
Adnan SljokaUniversity of TorontoAdresse e-mail validée de utoronto.ca
Roger SunaharaUniversity of California San DiegoAdresse e-mail validée de ucsd.edu
Sarah RauscherAssociate Professor, University of TorontoAdresse e-mail validée de utoronto.ca
Nilu ChakrabartiResearch Associate, Hospital for Sick Children, TorontoAdresse e-mail validée de sickkids.ca
W.F. Drew BennettLawrence Livermore National LabAdresse e-mail validée de llnl.gov
D. Peter TielemanCanada Research Chair in Molecular Simulation, University of CalgaryAdresse e-mail validée de ucalgary.ca
Timothy TranColumbia UniversityAdresse e-mail validée de cornell.edu

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Chris Neale

Software Developer, OpenEye Cadence Molecular Sciences

Adresse e-mail validée de eyesopen.com

Rational drug design statistical significance molecular simulation cell signaling membrane proteins


Titre Trier par citations Trier par année Trier par titre	Citée par Citée par	Année
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	202	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	191	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	174	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	167	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	164	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	112	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	106	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	83	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	79	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
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	75	2022
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
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

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