-
1
-
-
14544281447
-
Simulating vapor-liquid nucleation of water: A combined histogram-reweighting and aggregation-volume-bias Monte Carlo investigation for fixed-charge and polarizable models
-
DOI 10.1021/jp0463722
-
B. Chen, J. I. Siepmann, and M. Klein, Simulating vapor-liquid nucleation of water: A combined histogramreweighting and aggregation-volumebias monte carlo investigation for fixed-charge and polarizable models, J. Phys. Chem. A, vol. 109, no. 6, pp. 1137-1145, 2005. (Pubitemid 40296751)
-
(2005)
Journal of Physical Chemistry A
, vol.109
, Issue.6
, pp. 1137-1145
-
-
Chen, B.1
Siepmann, J.I.2
Klein, M.L.3
-
2
-
-
33644909334
-
Unravelling the peculiar nucleation mechanisms for non-ideal binary mixtures with atomistic simulations
-
M. E. McKenzie and B. Chen, Unravelling the peculiar nucleation mechanisms for non-ideal binary mixtures with atomistic simulations, The Journal of Physical Chemistry B, vol. 110, no. 8, pp. 3511-3516, 2006.
-
(2006)
The Journal of Physical Chemistry B
, vol.110
, Issue.8
, pp. 3511-3516
-
-
McKenzie, M.E.1
Chen, B.2
-
3
-
-
27544488799
-
Similarity of molecular descriptors: The equivalence of Zagreb indices and walk counts
-
J. Braun, A. Kerber, M. Meringer, and C. Rcker, Similarity of molecular descriptors: The equivalence of Zagreb indices and walk counts, MATCH Commun. Math. Comput. Chem., vol. 54, pp. 163-176, 2005. (Pubitemid 41540206)
-
(2005)
Match
, vol.54
, Issue.1
, pp. 163-176
-
-
Braun, J.1
Kerber, A.2
Meringer, M.3
Rucker, C.4
-
4
-
-
10344230435
-
Molecular similarity: A key technique in molecular informatics
-
A. Bender and R. C. Glen, Molecular similarity: A key technique in molecular informatics, Organic and Biomolecular Chemistry, vol. 2, no. 22, pp. 3204-3218, 2004.
-
(2004)
Organic and Biomolecular Chemistry
, vol.2
, Issue.22
, pp. 3204-3218
-
-
Bender, A.1
Glen, R.C.2
-
5
-
-
33750143865
-
Three-dimensional model-based object recognition and segmentation in cluttered scenes
-
DOI 10.1109/TPAMI.2006.213
-
A. S. Mian, M. Bennamoun, and R. Owens, Threedimensional model-based object recognition and segmentation in cluttered scenes, IEEE Transactions on Pattern Analysis and Machine Intelligence, vol. 28, no. 10, pp. 1584-1601, 2006. (Pubitemid 46405079)
-
(2006)
IEEE Transactions on Pattern Analysis and Machine Intelligence
, vol.28
, Issue.10
, pp. 1584-1601
-
-
Mian, A.S.1
Bennamoun, M.2
Owens, R.3
-
6
-
-
84897694697
-
3D molecular similarity: Method and algorithms
-
O. Ursu, M. V. Diudea, and S. Nakayama, 3D molecular similarity: Method and algorithms, Journal of Computer Chemistry, Japan, vol. 5, no. 1, pp. 39-46, 2006.
-
(2006)
Journal of Computer Chemistry, Japan
, vol.5
, Issue.1
, pp. 39-46
-
-
Ursu, O.1
Diudea, M.V.2
Nakayama, S.3
-
7
-
-
0031410097
-
Clique-detection algorithms for matching three-dimensional molecular structures
-
DOI 10.1016/S1093-3263(97)00089-2, PII S1093326397000892
-
E. J. Gardiner, P. J. Artymiuk, and P. Willett, Cliquedetection algorithms for matching three-dimensional molecular structures, Journal of Molecular Graphics and Modelling, vol. 15, no. 4, pp. 245-253, 1997. (Pubitemid 28134940)
-
(1997)
Journal of Molecular Graphics and Modelling
, vol.15
, Issue.4
, pp. 245-253
-
-
Gardiner, E.J.1
Artymiuk, P.J.2
Willett, P.3
-
8
-
-
0242507555
-
Interactive protein manipulation
-
O. Kreylos, N. L. Max, B. Hamann, S. N. Crivell, and E. Bethel, Interactive protein manipulation, in Proc. 14th IEEE Visualization 2003, IEEE Computer Society, 2003, pp. 77.
-
(2003)
Proc. 14th IEEE Visualization 2003, IEEE Computer Society
, pp. 77
-
-
Kreylos, O.1
Max, N.L.2
Hamann, B.3
Crivell, S.N.4
Bethel, E.5
-
9
-
-
34347268030
-
Similarity recognition of molecular structures by optimal atomic matching and rotational superposition
-
R. B. Nellas, B. Chen, and J. I. Siepmann, Similarity recognition of molecular structures by optimal atomic matching and rotational superposition, Phys. Chem. Chem. Phys., vol. 9, no. 22, pp. 2779-2781, 2007.
-
(2007)
Phys. Chem. Chem. Phys.
, vol.9
, Issue.22
, pp. 2779-2781
-
-
Nellas, R.B.1
Chen, B.2
Siepmann, J.I.3
-
10
-
-
82555165776
-
Dumbbells and onions in ternary nucleation
-
B. Helmich and M. Sierka, Dumbbells and onions in ternary nucleation, Journal of Computational Chemistry, vol. 33, no. 22, pp. 134-140, 2012.
-
(2012)
Journal of Computational Chemistry
, vol.33
, Issue.22
, pp. 134-140
-
-
Helmich, B.1
Sierka, M.2
-
11
-
-
0000152287
-
Application of molecular similarity analysis in 3D-QSAR of neonicotinoid insecticides 1
-
M. Sukekawa and A. Nakayama, Application of molecular similarity analysis in 3D-QSAR of neonicotinoid insecticides, Nippon Noyaku Gakkaishi, vol. 24, no. 1, pp. 38-43, 1999. (Pubitemid 129518107)
-
(1999)
Journal of Pesticide Sciences
, vol.24
, Issue.1
, pp. 38-43
-
-
Sukekawa, M.1
Nakayama, A.2
-
12
-
-
80053324958
-
SHAFTS: A hybrid approach for 3D molecular similarity calculation. 1. Method and assessment of virtual screening
-
X. Liu, H. Jiang, and H. Li, SHAFTS: A hybrid approach for 3D molecular similarity calculation. 1. Method and assessment of virtual screening, Journal of Chemical Information and Modeling, vol. 51, no. 9, pp. 2372-2385, 2011.
-
(2011)
Journal of Chemical Information and Modeling
, vol.51
, Issue.9
, pp. 2372-2385
-
-
Liu, X.1
Jiang, H.2
Li, H.3
-
13
-
-
0002865474
-
Explicit calculation of 3D molecular similarity
-
A. C. Good andW. G. Richards, Explicit calculation of 3D molecular similarity, 3D QSAR in Drug Design, vol. 2, pp. 321-338, 2002.
-
(2002)
3D QSAR in Drug Design
, vol.2
, pp. 321-338
-
-
Good, A.C.1
Richards, G.2
-
14
-
-
33847207834
-
Molecular similarity analysis in virtual screening: Foundations, limitations and novel approaches
-
H. Eckert and J. Bajorath, Molecular similarity analysis in virtual screening: Foundations, limitations and novel approaches, Drug Discovery Today, vol. 12, no. 5-6, pp. 225-223, 2007.
-
(2007)
Drug Discovery Today
, vol.12
, Issue.5-6
, pp. 225-223
-
-
Eckert, H.1
Bajorath, J.2
-
15
-
-
70350678845
-
JCUDA: A programmer-friendly interface for accelerating Java programs with CUDA
-
Y. Yan, M. Grossman, and V. Sarkar, JCUDA: A programmer-friendly interface for accelerating Java programs with CUDA, in Euro-Par 2009 Parallel Processing, 2009, pp. 887-899.
-
(2009)
Euro-Par 2009 Parallel Processing
, pp. 887-899
-
-
Yan, Y.1
Grossman, M.2
Sarkar, V.3
-
16
-
-
70349751441
-
Web-based visualization of atmospheric nucleation processes using Java3D
-
R. Ding, J. Gao, B. Chen, and J. I. Siepmann, Web-based visualization of atmospheric nucleation processes using Java3D, in the 9th IEEE/ACM International Symposium on Cluster Computing and the Grid, 2009.
-
(2009)
The 9th IEEE/ACM International Symposium on Cluster Computing and the Grid
-
-
Ding, R.1
Gao, J.2
Chen, B.3
Siepmann, J.I.4
-
19
-
-
0031410097
-
Clique-detection algorithms for matching three-dimensional molecular structures
-
J. R. Goodman and C. H. Sequin, Clique-detection algorithms for matching three-dimensional molecular structures, Journal of Molecular Graphics and Modelling, vol. 15, no. 4, pp. 245-253, 1997.
-
(1997)
Journal of Molecular Graphics and Modelling
, vol.15
, Issue.4
, pp. 245-253
-
-
Goodman, J.R.1
Sequin, C.H.2
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