Thom Vreven
Thom Vreven
Assistant Professor
Verified email at umassmed.edu
TitleCited byYear
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
7452006
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
6052000
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
5512014
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
5512003
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
3662010
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
2341996
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
2072001
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
2041997
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
1952000
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
1862003
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
1861998
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
1691996
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
1652012
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
1601998
Hybrid methods: Oniom (qm: mm) and qm/mm
T Vreven, K Morokuma
Annual Reports in Computational Chemistry 2, 35-51, 2006
1482006
Effects of the protein environment on the structure and energetics of active sites of metalloenzymes. ONIOM study of methane monooxygenase and ribonucleotide reductase
M Torrent, T Vreven, DG Musaev, K Morokuma, Ö Farkas, HB Schlegel
Journal of the American Chemical Society 124 (2), 192-193, 2002
1392002
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
1382015
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
1242014
Community-wide assessment of protein-interface modeling suggests improvements to design methodology
SJ Fleishman, TA Whitehead, EM Strauch, JE Corn, S Qin, HX Zhou, ...
Journal of molecular biology 414 (2), 289-302, 2011
1242011
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
1202006
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