Thom Vreven

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Zhiping WengProf & Chair, Department of Genomics and Computational Biology, UMASS Medical SchoolE-mailová adresa ověřena na: umassmed.edu
Howook HwangSenior Scientist, Schrodinger & Computational Scientist, Columbia UniversityE-mailová adresa ověřena na: columbia.edu
Brian G. PierceAssociate Professor, Department of Cell Biology and Molecular Genetics, IBBR, University of MarylandE-mailová adresa ověřena na: umd.edu
Mike RobbChemistry Department Imperial CollegeE-mailová adresa ověřena na: imperial.ac.uk
H. Bernhard SchlegelchemistryE-mailová adresa ověřena na: chem.wayne.edu
Djamaladdin MusaevDirector, Emerson Center, Emory UniversityE-mailová adresa ověřena na: emory.edu
Benedetta MennucciDepartment of Chemistry, University of PisaE-mailová adresa ověřena na: dcci.unipi.it
Odon FarkasEötvös Loránd UniversityE-mailová adresa ověřena na: elte.hu
Clarissa O. da SilvaProfessor de Físico-química , Universidade Federal Rural do Rio de JaneiroE-mailová adresa ověřena na: ufrrj.br
Phillip D. ZamoreGretchen Stone Cook Professor of Biomedical Sciences, University of Massachusetts Medical SchoolE-mailová adresa ověřena na: umassmed.edu
John MontgomeryUniversity of ConnecticutE-mailová adresa ověřena na: phys.uconn.edu
Ki-Young ByunE-mailová adresa ověřena na: pmc.edu
Marco GaravelliDipartimento di Chimica Industriale "T. Montanari", BolognaE-mailová adresa ověřena na: unibo.it
Shahriar MobasheryUniversity of Notre DameE-mailová adresa ověřena na: nd.edu
Samy MerouehProfessor of Biochemistry, University of Illinois Urbana-ChampaignE-mailová adresa ověřena na: illinois.edu
Gregory A. VothHaig P. Papazian Distinguished Service Professor, Department of Chemistry, The University of ChicagoE-mailová adresa ověřena na: uchicago.edu
Jacek JakowskiOak Ridge National LaboratoryE-mailová adresa ověřena na: ornl.gov
Lluís BlancafortInstitute of Computational Chemistry and Department of Chemistry, University of Girona (UdG)E-mailová adresa ověřena na: udg.edu
Troy W. WhitfieldWhitehead InstituteE-mailová adresa ověřena na: wi.mit.edu
Hrant P. HratchianUniversity of California, MercedE-mailová adresa ověřena na: ucmerced.edu

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Thom Vreven

Visterra, Inc.

E-mailová adresa ověřena na: visterrainc.com

Computational Chemistry Structural Bioinformatics


Název Seřadit podle citací Seřadit podle roku Seřadit podle názvu	Citace Citace	Rok
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	1605	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	1063	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	709	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	675	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	530	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	448	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	284	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	257	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	255	2012
Hybrid methods: Oniom (qm: mm) and qm/mm T Vreven, K Morokuma Annual Reports in Computational Chemistry 2, 35-51, 2006	252	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	241	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	234	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	217	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	201	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	168	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	167	1998
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	165	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	164	2004

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