G Andrés Cisneros

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Jean-Philip PiquemalDistinguished Professor of Theoretical Chemistry, Sorbonne UniversitéAdresse e-mail validée de sorbonne-universite.fr
Hedieh TorabifardAssistant Professor, University of Texas at DallasAdresse e-mail validée de utdallas.edu
Nohad GreshCNRSAdresse e-mail validée de lct.jussieu.fr
Pengyu RenDepartment of Biomedical Engineering, The University of Texas at AustinAdresse e-mail validée de mail.utexas.edu
Alice R. WalkerAssistant Professor, Wayne State UniversityAdresse e-mail validée de wayne.edu
Erik Vazquez MontelongoTecnológico Nacional de México Instituto Tecnológico de CelayaAdresse e-mail validée de iqcelaya.itc.mx
Weitao YangPhilip Handler Professor, Department of Chemistry, Duke UniversityAdresse e-mail validée de duke.edu
Louis LagardèreSorbonne UniversitéAdresse e-mail validée de sorbonne-universite.fr
Dong FangXtalPi Inc.Adresse e-mail validée de xtalpi.com
lee pedersenemeritus professor of chemistry, university of north carolina at chapel hillAdresse e-mail validée de ad.unc.edu
Lalith PereraStaff Scientist, National Institute of Environmental Health SciencesAdresse e-mail validée de niehs.nih.gov
Robin ChaudretSchrödingerAdresse e-mail validée de schrodinger.com
Filippo LippariniDipartimento di Chimica e Chimica Industriale, Università di PisaAdresse e-mail validée de unipi.it
Richard L. LordGrand Valley State UniversityAdresse e-mail validée de gvsu.edu
Hatice GökcanCarnegie Mellon UniversityAdresse e-mail validée de andrew.cmu.edu
Matthew AllenProfessor of Chemistry, Wayne State UniversityAdresse e-mail validée de chem.wayne.edu
Celeste SaguiNorth Carolina State UniversityAdresse e-mail validée de ncsu.edu
Francesco PaesaniUniversity of California, San DiegoAdresse e-mail validée de ucsd.edu
Peter ReinhardtLCT, Department of Chemistry, Sorbonne UniversityAdresse e-mail validée de sorbonne-universite.fr
Stanislav GroysmanProfessor of Chemistry, Wayne State UniversityAdresse e-mail validée de wayne.edu

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G Andrés Cisneros

University of Texas at Dallas

Adresse e-mail validée de utdallas.edu - Page d'accueil

Theoretica/Computational Chemistry QM/MM Polarizable Force Fields DNA repair Ionic liquids


Titre Trier par citations Trier par année Trier par titre	Citée par Citée par	Année
Amber 2021 DA Case, HM Aktulga, K Belfon, IY Ben-Shalom, JT Berryman, SR Brozell, ... University of California, San Francisco, 2021	5769	2021
Modeling Molecular Interactions in Water: From Pairwise to Many-Body Potential Energy Functions Cisneros G.A, Wikfeldt K.T., Ojamae L., Lu J., Xu Y., Torabifard H., Bartok ... Chem. Rev. 116, 7501, 2016	426	2016
Anisotropic, polarizable molecular mechanics studies of inter-and intramolecular interactions and ligand− macromolecule complexes. A bottom-up strategy N Gresh, GA Cisneros, TA Darden, JP Piquemal Journal of chemical theory and computation 3 (6), 1960-1986, 2007	409	2007
AmberTools DA Case, HM Aktulga, K Belfon, DS Cerutti, GA Cisneros, VWD Cruzeiro, ... Journal of chemical information and modeling 63 (20), 6183-6191, 2023	321	2023
Classical electrostatics for biomolecular simulations GA Cisneros, M Karttunen, P Ren, C Sagui Chemical reviews 114 (1), 779-814, 2014	286	2014
Towards accurate solvation dynamics of divalent cations in water using the polarizable amoeba force field: From energetics to structure JP Piquemal, L Perera, GA Cisneros, P Ren, LG Pedersen, TA Darden The Journal of chemical physics 125 (5), 2006	239	2006
Towards a force field based on density fitting JP Piquemal, GA Cisneros, P Reinhardt, N Gresh, TA Darden The Journal of chemical physics 124 (10), 2006	228	2006
Tinker-HP: a massively parallel molecular dynamics package for multiscale simulations of large complex systems with advanced point dipole polarizable force fields L Lagardère, LH Jolly, F Lipparini, F Aviat, B Stamm, ZF Jing, M Harger, ... Chemical science 9 (4), 956-972, 2018	222	2018
Generalization of the Gaussian electrostatic model: Extension to arbitrary angular momentum, distributed multipoles, and speedup with reciprocal space methods GA Cisneros, JP Piquemal, TA Darden The Journal of chemical physics 125 (18), 2006	127	2006
AMBER 2018; 2018 DA Case, IY Ben-Shalom, SR Brozell, DS Cerutti, TE Cheatham III, ... University of California, San Francisco, 2018	120	2018
Ab initio QM/MM study shows there is no general acid in the reaction catalyzed by 4-oxalocrotonate tautomerase GA Cisneros, H Liu, Y Zhang, W Yang Journal of the American Chemical Society 125 (34), 10384-10393, 2003	113	2003
LICHEM: A QM/MM program for simulations with multipolar and polarizable force fields EG Kratz, AR Walker, L Lagardere, F Lipparini, JP Piquemal, GA Cisneros Journal of Computational Chemistry 37 (11), 1019-1029, 2016	100	2016
Gaussian multipole model (GMM) DM Elking, GA Cisneros, JP Piquemal, TA Darden, LG Pedersen Journal of chemical theory and computation 6 (1), 190-202, 2010	99	2010
GEM*: A molecular electronic density-based force field for molecular dynamics simulations RE Duke, ON Starovoytov, JP Piquemal, GA Cisneros Journal of Chemical Theory and Computation 10 (4), 1361-1365, 2014	83	2014
The protein backbone makes important contributions to 4-oxalocrotonate tautomerase enzyme catalysis: Understanding from theory and experiment GA Cisneros, M Wang, P Silinski, MC Fitzgerald, W Yang Biochemistry 43 (22), 6885-6892, 2004	77	2004
Reaction Mechanism of the ε Subunit of E. coli DNA Polymerase III: Insights into Active Site Metal Coordination and Catalytically Significant Residues GA Cisneros, L Perera, RM Schaaper, LC Pedersen, RE London, ... Journal of the American Chemical Society 131 (4), 1550-1556, 2009	75	2009
Intermolecular electrostatic energies using density fitting GA Cisneros, JP Piquemal, TA Darden The Journal of chemical physics 123 (4), 2005	74	2005
Mutations along a TET2 active site scaffold stall oxidation at 5-hydroxymethylcytosine MY Liu, H Torabifard, DJ Crawford, JE DeNizio, XJ Cao, BA Garcia, ... Nature chemical biology 13 (2), 181-187, 2017	73	2017
Application of Gaussian electrostatic model (GEM) distributed multipoles in the AMOEBA force field GA Cisneros Journal of Chemical Theory and Computation 8 (12), 5072-5080, 2012	73	2012
Ab Initio QM/MM Calculations Show an Intersystem Crossing in the Hydrogen Abstraction Step in Dealkylation Catalyzed by AlkB D Fang, RL Lord, GA Cisneros The Journal of Physical Chemistry B 117 (21), 6410-6420, 2013	71	2013

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