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Browsing by Author Demetropoulos, I. N.

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Showing results 10 to 29 of 34 < previous   next >
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How many conformers of the 1,2,3-propanetriol triacetate are present in gas phase and in aqueous solution?Papageorgiou, D. G.; Demetropoulos, I. N.; Lagaris, I. E.; Papadimitriou, P. T.24-Nov-2015-
Hydration of Cis and Trans N-Methylformamide as Revealed by the Use of O-17-Nmr, Molecular Mechanics, and Ab-Initio CalculationsGerothanassis, I. P.; Demetropoulos, I. N.; Vakka, C.24-Nov-2015-
Location of amide I mode of vibration in computed data utilizing constructed neural networksPapamokos, G. V.; Tsoulos, I. G.; Demetropoulos, I. N.; Glavas, E.24-Nov-2015-
LysinebasedTrypsinActSite(LysTAS): A configurational tool of the TINKER software to evaluate Lysine based branched cyclic peptides as potential chymotrypsin-mimeticsTatsis, V. A.; Stavrakoudis, A.; Demetropoulos, I. N.24-Nov-2015-
Merlin - a Portable System for Multidimensional MinimizationEvangelakis, G. A.; Rizos, J. P.; Lagaris, I. E.; Demetropoulos, I. N.24-Nov-2015-
The Merlin Control Language for strategic optimizationPapageorgiou, D. G.; Demetropoulos, I. N.; Lagaris, I. E.24-Nov-2015-
MERLIN-3.0 - A multidimensional optimization environmentPapageorgiou, D. G.; Demetropoulos, I. N.; Lagaris, I. E.24-Nov-2015-
MERLIN-3.1.1. A new version of the Merlin optimization environmentPapageorgiou, D. G.; Demetropoulos, I. N.; Lagaris, I. E.24-Nov-2015-
Molecular Dynamics as a pattern recognition tool: an automated process detects peptides that preserve the 3D arrangement of Trypsin's Active SiteTatsis, V. A.; Σταυρακούδης, Αθανάσιος; Demetropoulos, I. N.24-Nov-2015-
Multitask molecular springs: Collective helical vibrations of R2Sn (R = H, C6H5, C2H3, CCl3) - A quantum mechanical studyPapamokos, G. V.; Demetropoulos, I. N.24-Nov-2015-
Organolithium and organosodium compounds: the second hyperpolarizabilities of C8H6Li2 and C8H6Na2Papadopoulos, M. G.; Raptis, S. G.; Demetropoulos, I. N.24-Nov-2015-
A programmable optimization environment using the GAMESS-US and MERLIN/MCL packages. Applications on intermolecular interaction energiesKalatzis, F. G.; Papageorgiou, D. G.; Demetropoulos, I. N.24-Nov-2015-
Static and frequency dependent polarizabilities and hyperpolarizabilities of H2SnRaptis, S. G.; Nasiou, S. M.; Demetropoulos, I. N.; Papadopoulos, M. G.24-Nov-2015-
Structure Determination of Some 5,6-Dihydropyrrolo[1,2-a][3,1,6]BenzothiadiazocinesCobb, J.; Demetropoulos, I. N.; Skoulika, S.; Varvounis, G.; Aubry, A.24-Nov-2015-
A Supermolecule Study of the Effect of Hydration on the Conformational Behavior of Leucine-EnkephalinDemetropoulos, I. N.; Gresh, N.24-Nov-2015-
Synthesis and reactions of 1-aryl-2-nitropyrroles. Structural and conformational study of ethyl N-[2'-[1'-(2-nitropyrrolyl)]phenyl]-N-toluene-4-sulfonamide glycinateCobb, J.; Demetropoulos, I. N.; Korakas, D.; Skoulika, S.; Varvounis, G.24-Nov-2015-
A systematic algorithm capable to yield open molecular knots: Application to alkanes, polyethylene oxides and peptidesKrinas, C. S.; Demetropoulos, I. N.24-Nov-2015-
Triglyceride reference database: large scale storage of 3D triglyceride conformers and web-based analysis toolsDimakopoulos, K. D.; Papageorgiou, D. G.; Demetropoulos, I. N.24-Nov-2015-
Vibrational frequencies of amides and amide dimers: The assessment of PW91(xc) functionalPapamokos, G. V.; Demetropoulos, I. N.24-Nov-2015-
Viscosities and Densities of Dilute Solutions of Glycerol Trioleate + Octane, + p-Xylene, + Toluene, and + ChloroformExarchos, N. C.; Tasioula-Margari, M.; Demetropoulos, I. N.24-Nov-2015-
Showing results 10 to 29 of 34 < previous   next >