Adrian Roitberg

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Citazioni	53393	26224
Indice H	76	51
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83 articoli

9 articoli

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Sergei TretiakLos Alamos National LaboratoryEmail verificata su lanl.gov
Carlos SimmerlingMarsha Laufer Chair in Physical & Quantitative Biology, SUNY Stony BrookEmail verificata su stonybrook.edu
Olexandr IsayevCarl and Amy Jones Professor of Chemistry, Carnegie Mellon UniversityEmail verificata su olexandrisayev.com
Sebastian Fernandez AlbertiUniversidad Nacional de QuilmesEmail verificata su unq.edu.ar
Justin S SmithNVIDIAEmail verificata su nvidia.com
Mark A RatnerNorthwestern UniversityEmail verificata su northwestern.edu
Ross C WalkerEmail verificata su sdsc.edu
Marcelo MartiProf of Biological Chemistry, University of Buenos AiresEmail verificata su qi.fcen.uba.ar
Dario Estrinuniversity of buenos aires (UBA)- INQUIMAE - CONICETEmail verificata su qi.fcen.uba.ar
Benjamin NebgenEmail verificata su cornell.edu
Vladimiro MujicaProfessor of Chemistry. Arizona State University. Universidad Central de VenezuelaEmail verificata su asu.edu
Valeria KleimanUniversity of FloridaEmail verificata su ufl.edu
T. Dwight McGee Jr.Postdoctoral ResearcherEmail verificata su stonybrook.edu
Kipton BarrosLos Alamos National LaboratoryEmail verificata su lanl.gov
Asim OkurScientific Information Officer, National Institute of Mental Health, NIHEmail verificata su nih.gov
Holger GohlkeProfessor, Heinrich Heine University Düsseldorf & Director, Forschungszentrum JülichEmail verificata su uni-duesseldorf.de
Kenneth M. Merz Jr.Staff, Lerner Research Institute; Professor, Michigan State UniversityEmail verificata su msu.edu
Roman ZubatyukCarnegie Mellon UniversityEmail verificata su andrew.cmu.edu
Vinícius Wilian D. CruzeiroPostdoctoral Researcher, Stanford UniversityEmail verificata su stanford.edu
Thomas E. Cheatham, IIIProfessor of Medicinal Chemistry; Director Research Computing; University of UtahEmail verificata su utah.edu

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Adrian Roitberg

Frank Harris Professor. Department of Chemistry. University of Florida.

Email verificata su ufl.edu - Home page

Theoretical Chemistry Computational Chemistry


Titolo Ordina per citazioni Ordina per anno Ordina per titolo	Citata da Citata da	Anno
Amber 14 DA Case, V Babin, J Berryman, RM Betz, Q Cai, DS Cerutti, ... University of California, 2014	9240*	2014
Amber 10 DA Case, TA Darden, TE Cheatham, CL Simmerling, J Wang, RE Duke, ... University of California, 2008	8671	2008
Comparison of multiple Amber force fields and development of improved protein backbone parameters V Hornak, R Abel, A Okur, B Strockbine, A Roitberg, C Simmerling Proteins: Structure, Function, and Bioinformatics 65 (3), 712-725, 2006	7569	2006
Amber 2021 DA Case, HM Aktulga, K Belfon, I Ben-Shalom, SR Brozell, DS Cerutti, ... University of California, San Francisco, 2021	5789	2021
MMPBSA.py: An Efficient Program for End-State Free Energy Calculations BR Miller III, TD McGee Jr, JM Swails, N Homeyer, H Gohlke, AE Roitberg Journal of chemical theory and computation 8 (9), 3314-3321, 2012	3685	2012
AMBER 9 DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ... University of California, San Francisco 45, 2006	3467	2006
ANI-1: an extensible neural network potential with DFT accuracy at force field computational cost JS Smith, O Isayev, AE Roitberg Chemical science 8 (4), 3192-3203, 2017	1818	2017
Long-time-step molecular dynamics through hydrogen mass repartitioning CW Hopkins, S Le Grand, RC Walker, AE Roitberg Journal of chemical theory and computation 11 (4), 1864-1874, 2015	1104	2015
Pulsed terahertz spectroscopy of DNA, bovine serum albumin and collagen between 0.1 and 2.0 THz AG Markelz, A Roitberg, EJ Heilweil Chemical Physics Letters 320 (1-2), 42-48, 2000	977	2000
Less is more: Sampling chemical space with active learning JS Smith, B Nebgen, N Lubbers, O Isayev, AE Roitberg The Journal of chemical physics 148 (24), 2018	747	2018
All-atom structure prediction and folding simulations of a stable protein C Simmerling, B Strockbine, AE Roitberg Journal of the American Chemical Society 124 (38), 11258-11259, 2002	725	2002
QSAR without borders EN Muratov, J Bajorath, RP Sheridan, IV Tetko, D Filimonov, V Poroikov, ... Chemical Society Reviews 49 (11), 3525-3564, 2020	720	2020
Approaching coupled cluster accuracy with a general-purpose neural network potential through transfer learning JS Smith, BT Nebgen, R Zubatyuk, N Lubbers, C Devereux, K Barros, ... Nature Communications 10, 2903, 2019	673	2019
AMBER 8, University of California, San Francisco, 2004 DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ... There is no corresponding record for this reference, 9-174, 2008	545*	2008
AMBER 10; University of California: San Francisco, 2008 DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ... Google Scholar There is no corresponding record for this reference, 2008	508	2008
Coherent electron transport through an azobenzene molecule: a light-driven molecular switch C Zhang, MH Du, HP Cheng, XG Zhang, AE Roitberg, JL Krause Phys. Rev. Lett. 92, 158301, 2004	463	2004
AmberTools DA Case, HM Aktulga, K Belfon, DS Cerutti, GA Cisneros, VWD Cruzeiro, ... Journal of chemical information and modeling 63 (20), 6183-6191, 2023	453	2023
Smaller and faster: The 20-residue Trp-cage protein folds in 4 μs L Qiu, SA Pabit, AE Roitberg, SJ Hagen Journal of the American Chemical Society 124 (44), 12952-12953, 2002	436	2002
Theoretical study of the isomerization mechanism of azobenzene and disubstituted azobenzene derivatives CR Crecca, AE Roitberg The Journal of Physical Chemistry A 110 (26), 8188-8203, 2006	420	2006
Current‐voltage characteristics of molecular wires: Eigenvalue staircase, Coulomb blockade, and rectification V Mujica, M Kemp, A Roitberg, M Ratner The Journal of chemical physics 104 (18), 7296-7305, 1996	398	1996

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