Christopher Rowley

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32 articoli

8 articoli

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Ernest Awoonor-WilliamsSchrödinger, Inc.Email verificata su schrodinger.com
Benoit RouxProfessor of Biochemistry, The university of ChicagoEmail verificata su uchicago.edu
Saleh RiahiPh.D., Computational Chemistry, UC IrvineEmail verificata su uci.edu
Erin R JohnsonHerzberg-Becke Chair in Theoretical Chemistry, Dalhousie UniversityEmail verificata su dal.ca
Joseph MoranTier 1 Canada Research Chair & Full Professor, University of OttawaEmail verificata su uottawa.ca
Haibo YuSchool of Chemistry and Molecular Bioscience, University of Wollongong, AustraliaEmail verificata su uow.edu.au
James C. GumbartGeorgia TechEmail verificata su physics.gatech.edu
Mohamad MohebifarMemorial UniversityEmail verificata su mun.ca
Jeffrey ComerKansas State UniversityEmail verificata su ksu.edu
Chris ChipotUniversity of Lorraine — University of Illinois, Urbana-ChampaignEmail verificata su Univ-Lorraine.fr
Rommie E. AmaroDistinguished Professorship in Theoretical and Computational Chemistry, UC San Diego.Email verificata su ucsd.edu
Christopher T. LeeUniversity of California, San DiegoEmail verificata su ucsd.edu
Robert V. SwiftRelay TherapeuticsEmail verificata su relaytx.com
Conner HerndonEmail verificata su gatech.edu
Jeffrey W KeillorProfessor of Chemistry, University of OttawaEmail verificata su uottawa.ca
Sergei NoskovFull Professor, Centre for Molecular Simulations, University of CalgaryEmail verificata su ucalgary.ca
Bogdan LevResearch Fellow at Department of Physics, School of Science, RMITEmail verificata su rmit.edu.au
Bernhard EgwolfAssociate Professor of Physics, University of Santo Tomas, Manila, PhilippinesEmail verificata su ust.edu.ph
Gino DiLabioUniversity of British ColumbiaEmail verificata su ubc.ca
James S. WrightDistinguished Research Professor, Carleton UniversityEmail verificata su carleton.ca

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Christopher Rowley

Associate Professor of Chemistry, Carleton University

Email verificata su cunet.carleton.ca - Home page

computational chemistry molecular dynamics statistical thermodynamics neural network potentials


Titolo Ordina per citazioni Ordina per anno Ordina per titolo	Citata da Citata da	Anno
Catalytic intermolecular direct arylation of perfluorobenzenes M Lafrance, CN Rowley, TK Woo, K Fagnou Journal of the American Chemical Society 128 (27), 8754-8756, 2006	970	2006
Benchmarking quantum chemical methods for the calculation of molecular dipole moments and polarizabilities AL Hickey, CN Rowley The Journal of Physical Chemistry A 118 (20), 3678-3687, 2014	287	2014
Simulation-based approaches for determining membrane permeability of small compounds CT Lee, J Comer, C Herndon, N Leung, A Pavlova, RV Swift, C Tung, ... Journal of chemical information and modeling 56 (4), 721-733, 2016	230	2016
The Solvation Structure of Na⁺ and K⁺ in Liquid Water Determined from High Level ab Initio Molecular Dynamics Simulations CN Rowley, B Roux Journal of chemical theory and computation 8 (10), 3526-3535, 2012	230	2012
Ion selectivity in channels and transporters B Roux, S Bernèche, B Egwolf, B Lev, SY Noskov, CN Rowley, H Yu Journal of general physiology 137 (5), 415-426, 2011	176	2011
Molecular simulation of nonfacilitated membrane permeation E Awoonor-Williams, CN Rowley Biochimica et Biophysica Acta (BBA)-Biomembranes 1858 (7), 1672-1687, 2016	149	2016
Theoretical and Synthetic Investigations of Carbodiimide Insertions into Al−CH₃ and Al−N(CH₃)₂ Bonds CN Rowley, GA DiLabio, ST Barry Inorganic chemistry 44 (6), 1983-1991, 2005	126	2005
Why can hydrogen sulfide permeate cell membranes? S Riahi, CN Rowley Journal of the American Chemical Society 136 (43), 15111-15113, 2014	124	2014
Evaluation of Methods for the Calculation of the pK_a of Cysteine Residues in Proteins E Awoonor-Williams, CN Rowley Journal of chemical theory and computation 12 (9), 4662-4673, 2016	121	2016
Range-separated DFT functionals are necessary to model thio-Michael additions JM Smith, Y Jami Alahmadi, CN Rowley Journal of Chemical Theory and Computation 9 (11), 4860-4865, 2013	92	2013
Modeling covalent-modifier drugs E Awoonor-Williams, AG Walsh, CN Rowley Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics 1865 (11), 1664-1675, 2017	91	2017
Polarisable force fields: what do they add in biomolecular simulations? VSS Inakollu, DP Geerke, CN Rowley, H Yu Current Opinion in Structural Biology 61, 182-190, 2020	90	2020
A ‘universal’B3LYP-based method for gas-phase molecular properties: bond dissociation enthalpy, ionization potential, electron and proton affinity and gas-phase acidity JS Wright*, CN Rowley, LL Chepelev Molecular Physics 103 (6-8), 815-823, 2005	89	2005
Ring-opening hydroarylation of monosubstituted cyclopropanes enabled by hexafluoroisopropanol E Richmond, J Yi, VD Vuković, F Sajadi, CN Rowley, J Moran Chemical science 9 (30), 6411-6416, 2018	86	2018
Solution conformation of C-linked antifreeze glycoprotein analogues and modulation of ice recrystallization RY Tam, CN Rowley, I Petrov, T Zhang, NA Afagh, TK Woo, RN Ben Journal of the American Chemical Society 131 (43), 15745-15753, 2009	79	2009
Suzuki–Miyaura coupling of (hetero) aryl sulfones: complementary reactivity enables iterative polyaryl synthesis P Chatelain, A Sau, CN Rowley, J Moran Angewandte Chemie International Edition 58 (42), 14959-14963, 2019	77	2019
Simulating protein–ligand binding with neural network potentials SLJ Lahey, CN Rowley Chemical science 11 (9), 2362-2368, 2020	75	2020
Synthesis and thermolysis of aluminum amidinates: A ligand-exchange route for new mixed-ligand systems AL Brazeau, Z Wang, CN Rowley, ST Barry Inorganic chemistry 45 (5), 2276-2281, 2006	75	2006
The CHARMM–TURBOMOLE interface for efficient and accurate QM/MM molecular dynamics, free energies, and excited state properties S Riahi, CN Rowley Journal of computational chemistry 35 (28), 2076-2086, 2014	71	2014
Unlocking the Friedel-Crafts arylation of primary aliphatic alcohols and epoxides driven by hexafluoroisopropanol S Zhang, M Vayer, F Noel, VD Vuković, A Golushko, N Rezajooei, ... Chem 7 (12), 3425-3441, 2021	63	2021

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