Thom Vreven

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Zhiping WengProf & Chair, Department of Genomics and Computational Biology, UMASS Medical SchoolEmail verificata su umassmed.edu
Howook HwangSenior Scientist, Schrodinger & Computational Scientist, Columbia UniversityEmail verificata su columbia.edu
Brian G. PierceAssociate Professor, Department of Cell Biology and Molecular Genetics, IBBR, University of MarylandEmail verificata su umd.edu
Mike RobbChemistry Department Imperial CollegeEmail verificata su imperial.ac.uk
H. Bernhard SchlegelchemistryEmail verificata su chem.wayne.edu
Djamaladdin MusaevDirector, Emerson Center, Emory UniversityEmail verificata su emory.edu
Benedetta MennucciDepartment of Chemistry, University of PisaEmail verificata su dcci.unipi.it
Odon FarkasEötvös Loránd UniversityEmail verificata su elte.hu
Clarissa O. da SilvaProfessor de Físico-química , Universidade Federal Rural do Rio de JaneiroEmail verificata su ufrrj.br
Phillip D. ZamoreGretchen Stone Cook Professor of Biomedical Sciences, University of Massachusetts Medical SchoolEmail verificata su umassmed.edu
John MontgomeryUniversity of ConnecticutEmail verificata su phys.uconn.edu
Ki-Young ByunEmail verificata su pmc.edu
Marco GaravelliDipartimento di Chimica Industriale "T. Montanari", BolognaEmail verificata su unibo.it
Shahriar MobasheryUniversity of Notre DameEmail verificata su nd.edu
Samy MerouehProfessor of Biochemistry, Indiana University School of MedicineEmail verificata su iu.edu
Gregory A. VothHaig P. Papazian Distinguished Service Professor, Department of Chemistry, The University of ChicagoEmail verificata su uchicago.edu
Hrant P. HratchianUniversity of California, MercedEmail verificata su ucmerced.edu
Jacek JakowskiOak Ridge National LaboratoryEmail verificata su ornl.gov
Lluís BlancafortInstitute of Computational Chemistry and Department of Chemistry, University of Girona (UdG)Email verificata su udg.edu
Troy W. WhitfieldAssistant Professor, University of Massachusetts Medical SchoolEmail verificata su umassmed.edu

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Thom Vreven

Visterra, Inc.

Email verificata su visterrainc.com

Computational Chemistry Structural Bioinformatics


Titolo Ordina per citazioni Ordina per anno Ordina per titolo	Citata da Citata da	Anno
ZDOCK server: interactive docking prediction of protein–protein complexes and symmetric multimers BG Pierce, K Wiehe, H Hwang, BH Kim, T Vreven, Z Weng Bioinformatics 30 (12), 1771-1773, 2014	1519	2014
Combining quantum mechanics methods with molecular mechanics methods in ONIOM T Vreven, KS Byun, I Komáromi, S Dapprich, JA Montgomery Jr, ... Journal of Chemical Theory and Computation 2 (3), 815-826, 2006	1038	2006
Geometry optimization with QM/MM, ONIOM, and other combined methods. I. Microiterations and constraints T Vreven, K Morokuma, Ö Farkas, HB Schlegel, MJ Frisch Journal of computational chemistry 24 (6), 760-769, 2003	701	2003
On the application of the IMOMO (integrated molecular orbital+ molecular orbital) method T Vreven, K Morokuma Journal of Computational Chemistry 21 (16), 1419-1432, 2000	666	2000
Protein–protein docking benchmark version 4.0 H Hwang, T Vreven, J Janin, Z Weng Proteins: Structure, Function, and Bioinformatics 78 (15), 3111-3114, 2010	515	2010
Updates to the Integrated Protein–Protein Interaction Benchmarks: Docking Benchmark Version 5 and Affinity Benchmark Version 2 T Vreven, IH Moal, A Vangone, BG Pierce, PL Kastritis, M Torchala, ... Journal of molecular biology 427 (19), 3031-3041, 2015	424	2015
A direct derivative MC-SCF procedure N Yamamoto, T Vreven, MA Robb, MJ Frisch, H Bernhard Schlegel Chemical physics letters 250 (3), 373-378, 1996	281	1996
The ONIOM-PCM method: Combining the hybrid molecular orbital method and the polarizable continuum model for solvation. Application to the geometry and properties of a … T Vreven, B Mennucci, CO da Silva, K Morokuma, J Tomasi The Journal of chemical physics 115, 62, 2001	251	2001
UAP56 Couples piRNA Clusters to the Perinuclear Transposon Silencing Machinery F Zhang, J Wang, J Xu, Z Zhang, BS Koppetsch, N Schultz, T Vreven, ... Cell 151 (4), 871-884, 2012	247	2012
Hybrid methods: Oniom (qm: mm) and qm/mm T Vreven, K Morokuma Annual Reports in Computational Chemistry 2, 35-51, 2006	243	2006
Ultrafast radiationless deactivation of organic dyes: evidence for a two-state two-mode pathway in polymethine cyanines A Sanchez-Galvez, P Hunt, MA Robb, M Olivucci, T Vreven, HB Schlegel Journal of the American Chemical Society 122 (12), 2911-2924, 2000	229	2000
The HP1 Homolog Rhino Anchors a Nuclear Complex that Suppresses piRNA Precursor Splicing Z Zhang, J Wang, N Schultz, F Zhang, SS Parhad, S Tu, T Vreven, ... Cell 157 (6), 1353-1363, 2014	227	2014
Ab initio photoisomerization dynamics of a simple retinal chromophore model T Vreven, F Bernardi, M Garavelli, M Olivucci, MA Robb, HB Schlegel Journal of the American Chemical Society 119 (51), 12687-12688, 1997	221	1997
The azulene S1 state decays via a conical intersection: a CASSCF study with MMVB dynamics MJ Bearpark, F Bernardi, S Clifford, M Olivucci, MA Robb, BR Smith, ... Journal of the American Chemical Society 118 (1), 169-175, 1996	213	1996
Investigation of the S0 S1 excitation in bacteriorhodopsin with the ONIOM (MO: MM) hybrid method T Vreven, K Morokuma Theoretical Chemistry Accounts 109 (3), 125-132, 2003	208	2003
Photoisomerization path for a realistic retinal chromophore model: the nonatetraeniminium cation M Garavelli, T Vreven, P Celani, F Bernardi, MA Robb, M Olivucci Journal of the American Chemical Society 120 (6), 1285-1288, 1998	199	1998
Potential-energy surfaces for ultrafast photochemistry static and dynamic aspects M Garavelli, F Bernardi, M Olivucci, T Vreven, P Celani, MA Robb Faraday Discuss. 110, 51-70, 1998	167	1998
Prediction of homoprotein and heteroprotein complexes by protein docking and template‐based modeling: A CASP‐CAPRI experiment MF Lensink, S Velankar, A Kryshtafovych, SY Huang, ... Proteins: Structure, Function, and Bioinformatics 84, 323-348, 2016	164	2016
Geometry optimization with QM/MM methods II: Explicit quadratic coupling T Vreven, MJ Frisch, KN Kudin, HB Schlegel, K Morokuma Molecular Physics 104 (5-7), 701-714, 2006	163	2006
Hybrid ab-initio/empirical molecular dynamics: combining the ONIOM scheme with the atom-centered density matrix propagation (ADMP) approach N Rega, SS Iyengar, GA Voth, HB Schlegel, T Vreven, MJ Frisch The Journal of Physical Chemistry B 108 (13), 4210-4220, 2004	163	2004

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