Chris Neale

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Régis PomèsHospital for Sick ChildrenGeverifieerd e-mailadres voor sickkids.ca
Angel E GarciaCenter for Non Linear Studies, Los Alamos National LaboratoryGeverifieerd e-mailadres voor lanl.gov
"Gnana" S. GnanakaranLos Alamos National LabsGeverifieerd e-mailadres voor lanl.gov
Andrew StephenFrederick National Laboratory for Cancer ResearchGeverifieerd e-mailadres voor mail.nih.gov
Julie D Forman-KayHospital for Sick Children; University of TorontoGeverifieerd e-mailadres voor sickkids.ca
César A LópezResearch associate-Los alamos national laboratoryGeverifieerd e-mailadres voor lanl.gov
Robert Scott ProsserChemistry, Biochemistry, University of TorontoGeverifieerd e-mailadres voor utoronto.ca
Libin YeUniversity of South Florida and H. Lee Moffitt Cancer CenterGeverifieerd e-mailadres voor usf.edu
Loan HuynhSenior Bioinformatics Research ScientistGeverifieerd e-mailadres voor newmexicoconsortium.org
Joseph A MarshProfessor of Computational Protein Biology, University of EdinburghGeverifieerd e-mailadres voor ed.ac.uk
(James) Wing-Yiu ChoyWestern UniversityGeverifieerd e-mailadres voor uwo.ca
Russell BishopAssociate Professor of Biochemistry, McMaster UniversityGeverifieerd e-mailadres voor mcmaster.ca
Rottapel RScientist, Princess Margaret Cancer CentreGeverifieerd e-mailadres voor uhnresearch.ca
Sarah RauscherAssistant Professor, University of TorontoGeverifieerd e-mailadres voor utoronto.ca
Nilu ChakrabartiResearch Associate, Hospital for Sick Children, TorontoGeverifieerd e-mailadres voor sickkids.ca
W.F. Drew BennettLawrence Livermore National LabGeverifieerd e-mailadres voor llnl.gov
D. Peter TielemanCanada Research Chair in Molecular Simulation, University of CalgaryGeverifieerd e-mailadres voor ucalgary.ca
Subburaj IlangumaranUniversité de SherbrookeGeverifieerd e-mailadres voor USherbrooke.ca
Adnan SljokaUniversity of TorontoGeverifieerd e-mailadres voor utoronto.ca
Roger SunaharaUniversity of California San DiegoGeverifieerd e-mailadres voor ucsd.edu

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Chris Neale

Software Developer, OpenEye Cadence Molecular Sciences

Geverifieerd e-mailadres voor eyesopen.com

Rational drug design statistical significance molecular simulation cell signaling membrane proteins


Titel Sorteren op citaties Sorteren op jaar Sorteren op titel	Geciteerd door Geciteerd door	Jaar
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	198	2011
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	169	2002
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	162	2018
Characterization of disordered proteins with ENSEMBLE M Krzeminski, JA Marsh, C Neale, WY Choy, JD Forman-Kay Bioinformatics 29 (3), 398-399, 2013	156	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	148	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	140	2007
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	130	2021
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	102	2016
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	101	2005
Indolicidin binding induces thinning of a lipid bilayer C Neale, JCY Hsu, CM Yip, R Pomès Biophysical journal 106 (8), L29-L31, 2014	100	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	98	2013
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	96	2010
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	82	2018
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	76	2010
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	75	2018
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	71	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
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	63	2019
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	60	2022
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	59	2009

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