Thom Vreven

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Zhiping WengProf & Chair, Department of Genomics and Computational Biology, UMASS Medical SchoolVerifierad e-postadress på umassmed.edu
Howook HwangSenior Scientist, Schrodinger & Computational Scientist, Columbia UniversityVerifierad e-postadress på columbia.edu
Brian G. PierceAssociate Professor, Department of Cell Biology and Molecular Genetics, IBBR, University of MarylandVerifierad e-postadress på umd.edu
Mike RobbChemistry Department Imperial CollegeVerifierad e-postadress på imperial.ac.uk
H. Bernhard SchlegelchemistryVerifierad e-postadress på chem.wayne.edu
Djamaladdin MusaevDirector, Emerson Center, Emory UniversityVerifierad e-postadress på emory.edu
Benedetta MennucciDepartment of Chemistry, University of PisaVerifierad e-postadress på dcci.unipi.it
Ödön FarkasInstitute of Chemistry, Eötvös Loránd UniversityVerifierad e-postadress på elte.hu
Clarissa O. da SilvaProfessor de Físico-química , Universidade Federal Rural do Rio de JaneiroVerifierad e-postadress på ufrrj.br
Phillip D. ZamoreGretchen Stone Cook Professor of Biomedical Sciences, University of Massachusetts Medical SchoolVerifierad e-postadress på umassmed.edu
John MontgomeryUniversity of ConnecticutVerifierad e-postadress på phys.uconn.edu
Ki-Young ByunVerifierad e-postadress på pmc.edu
Marco GaravelliDipartimento di Chimica Industriale "T. Montanari", BolognaVerifierad e-postadress på unibo.it
Shahriar MobasheryUniversity of Notre DameVerifierad e-postadress på nd.edu
Samy MerouehUniversity of Illinois Urbana-ChampaignVerifierad e-postadress på illinois.edu
Gregory A. VothHaig P. Papazian Distinguished Service Professor, Department of Chemistry, The University of ChicagoVerifierad e-postadress på uchicago.edu
Jacek JakowskiOak Ridge National LaboratoryVerifierad e-postadress på ornl.gov
Lluís BlancafortInstitute of Computational Chemistry and Department of Chemistry, University of Girona (UdG)Verifierad e-postadress på udg.edu
Troy W. WhitfieldWhitehead InstituteVerifierad e-postadress på wi.mit.edu
Hrant P. HratchianUniversity of California, MercedVerifierad e-postadress på ucmerced.edu

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Thom Vreven

Visterra, Inc.

Verifierad e-postadress på visterrainc.com

Computational Chemistry Structural Bioinformatics


Titel Sortera efter citat Sortera efter år Sortera efter titel	Citeras av Citeras av	År
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	1699	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	1082	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	722	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	678	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	537	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	468	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	286	1996
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	261	2012
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	261	2001
Hybrid methods: Oniom (qm: mm) and qm/mm T Vreven, K Morokuma Annual Reports in Computational Chemistry 2, 35-51, 2006	260	2006
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	248	2014
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	236	2000
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	224	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	219	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	211	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	202	1998
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	172	2004
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	171	2006
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	169	2016
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	168	1998

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