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1
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0033879436
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Biomolecular reaction simulation using weighted ensemble brownian dynamics and the university of Houston brownian dynamics program
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Rojnuckarin, A., Livesay, D. R., Subramaniam, S.: Biomolecular Reaction Simulation Using Weighted Ensemble Brownian Dynamics and the University of Houston Brownian Dynamics Program. Biophysical Journal 79 (2000) 686-693
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(2000)
Biophysical Journal
, vol.79
, pp. 686-693
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Rojnuckarin, A.1
Livesay, D.R.2
Subramaniam, S.3
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2
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10444225478
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Grids for experimental science: The virtual control room
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Honolulu, HI (June)
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Keahey, K., Papka, M. E., Peng, Q., Schissel, D., Abla, G., Araki, T., Burruss, J., Feibush, E., Lane, P., Klasky, S., Leggett, T., McCune, D., Randerson, L.: Grids for Experimental Science: The Virtual Control Room, in proceedings of the Challenges of Large Applications in Distributed Environments (CLADE), Honolulu, HI (June 2004)
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(2004)
Proceedings of the Challenges of Large Applications in Distributed Environments (CLADE)
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Keahey, K.1
Papka, M.E.2
Peng, Q.3
Schissel, D.4
Abla, G.5
Araki, T.6
Burruss, J.7
Feibush, E.8
Lane, P.9
Klasky, S.10
Leggett, T.11
McCune, D.12
Randerson, L.13
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3
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26444608175
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Molecular dynamics simulations applied to the study of subtypes of HIV 1 protease common to Brazil, Africa and Asia
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in press
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Batista, P., Wilter, A. Durham, E. H. A. B., Pascutti, P. G.: Molecular Dynamics Simulations Applied to the Study of Subtypes of HIV 1 Protease Common to Brazil, Africa and Asia. Journal Cell Biochemistry and Biophysics (2005) in press
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(2005)
Journal Cell Biochemistry and Biophysics
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Batista, P.1
Wilter, A.2
Durham, E.H.A.B.3
Pascutti, P.G.4
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4
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26444617830
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Molecular modeling and dynamics of falcipain-2 protease complexes, a contribution for drug development against malaria
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Submitted to
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Gomes, D. E. B., Rössle, S. C. S., Bisch, P. M., Pascutti, P. G.: Molecular Modeling and Dynamics of Falcipain-2 Protease Complexes, a Contribution for Drug Development against Malaria. Submitted to Biophysical Chemistry (2005)
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(2005)
Biophysical Chemistry
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Gomes, D.E.B.1
Rössle, S.C.S.2
Bisch, P.M.3
Pascutti, P.G.4
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5
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26444557104
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Molecular dynamics of the interaction of plasmodium falciparum and human serine hydroxymethyltransferase with 5-formyl-6-hydrofolic acid analogues: Design of new potential antimalarials
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Submitted to
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França, T. C. C., Wilter, A., Ramalho, T. C., Pascutti, P. G., Figueroa-Villar, J. D.: Molecular Dynamics of the Interaction of Plasmodium falciparum and Human Serine Hydroxymethyltransferase with 5-Formyl-6-hydrofolic Acid Analogues: Design of New Potential Antimalarials. Submitted to Journal of Computer-Aided Molecular Design (2005)
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(2005)
Journal of Computer-aided Molecular Design
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França, T.C.C.1
Wilter, A.2
Ramalho, T.C.3
Pascutti, P.G.4
Figueroa-Villar, J.D.5
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6
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0003916606
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van der Spoel, D., Lindahl, E., Hess, B., van Buuren, A. R., Apol, E., Meulenhoff, P. J., Tieleman, D. P., Sijbers, A. L. T. M., Feenstra, K. A., van Drunen, R., Berendsen, H. J. C.: Gromacs User Manual Version 3.2, www.gromacs.org (2004)
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(2004)
Gromacs User Manual Version 3.2
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Van Der Spoel, D.1
Lindahl, E.2
Hess, B.3
Van Buuren, A.R.4
Apol, E.5
Meulenhoff, P.J.6
Tieleman, D.P.7
Sijbers, A.L.T.M.8
Feenstra, K.A.9
Van Drunen, R.10
Berendsen, H.J.C.11
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7
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0030158429
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PRODRG, a program for generating molecular topologies and unique molecular descriptors from coordinates of small molecules
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van Aalten, D.M., Bywater, R., Findlay, J.B., Hendlich, M., Hooft, R.W., Vriend, G.: PRODRG, a Program for Generating Molecular Topologies and Unique Molecular Descriptors from Coordinates of Small Molecules. J. Comput. Aided Mol. Des. 10 (1996) 255-262
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(1996)
J. Comput. Aided Mol. Des.
, vol.10
, pp. 255-262
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Van Aalten, D.M.1
Bywater, R.2
Findlay, J.B.3
Hendlich, M.4
Hooft, R.W.5
Vriend, G.6
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8
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26444512362
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Peer-to-peer Grid computing with the OurGrid community
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Andrade, N., Costa, L., Germoglio, G., Cirne, W.: Peer-to-peer Grid Computing with the OurGrid Community. Proceedings of the SBRC (2005)
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(2005)
Proceedings of the SBRC
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Andrade, N.1
Costa, L.2
Germoglio, G.3
Cirne, W.4
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