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Browsing by Author Demetropoulos, I. N.
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Showing results 10 to 29 of 34
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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 Calculations
Gerothanassis, I. P.
;
Demetropoulos, I. N.
;
Vakka, C.
24-Nov-2015
-
Location of amide I mode of vibration in computed data utilizing constructed neural networks
Papamokos, G. V.
;
Tsoulos, I. G.
;
Demetropoulos, I. N.
;
Glavas, E.
24-Nov-2015
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LysinebasedTrypsinActSite(LysTAS): A configurational tool of the TINKER software to evaluate Lysine based branched cyclic peptides as potential chymotrypsin-mimetics
Tatsis, V. A.
;
Stavrakoudis, A.
;
Demetropoulos, I. N.
24-Nov-2015
-
Merlin - a Portable System for Multidimensional Minimization
Evangelakis, G. A.
;
Rizos, J. P.
;
Lagaris, I. E.
;
Demetropoulos, I. N.
24-Nov-2015
-
The Merlin Control Language for strategic optimization
Papageorgiou, D. G.
;
Demetropoulos, I. N.
;
Lagaris, I. E.
24-Nov-2015
-
MERLIN-3.0 - A multidimensional optimization environment
Papageorgiou, D. G.
;
Demetropoulos, I. N.
;
Lagaris, I. E.
24-Nov-2015
-
MERLIN-3.1.1. A new version of the Merlin optimization environment
Papageorgiou, 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 Site
Tatsis, 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 study
Papamokos, G. V.
;
Demetropoulos, I. N.
24-Nov-2015
-
Organolithium and organosodium compounds: the second hyperpolarizabilities of C8H6Li2 and C8H6Na2
Papadopoulos, 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 energies
Kalatzis, F. G.
;
Papageorgiou, D. G.
;
Demetropoulos, I. N.
24-Nov-2015
-
Static and frequency dependent polarizabilities and hyperpolarizabilities of H2Sn
Raptis, 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]Benzothiadiazocines
Cobb, J.
;
Demetropoulos, I. N.
;
Skoulika, S.
;
Varvounis, G.
;
Aubry, A.
24-Nov-2015
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A Supermolecule Study of the Effect of Hydration on the Conformational Behavior of Leucine-Enkephalin
Demetropoulos, I. N.
;
Gresh, N.
24-Nov-2015
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Synthesis and reactions of 1-aryl-2-nitropyrroles. Structural and conformational study of ethyl N-[2'-[1'-(2-nitropyrrolyl)]phenyl]-N-toluene-4-sulfonamide glycinate
Cobb, 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 peptides
Krinas, C. S.
;
Demetropoulos, I. N.
24-Nov-2015
-
Triglyceride reference database: large scale storage of 3D triglyceride conformers and web-based analysis tools
Dimakopoulos, K. D.
;
Papageorgiou, D. G.
;
Demetropoulos, I. N.
24-Nov-2015
-
Vibrational frequencies of amides and amide dimers: The assessment of PW91(xc) functional
Papamokos, G. V.
;
Demetropoulos, I. N.
24-Nov-2015
-
Viscosities and Densities of Dilute Solutions of Glycerol Trioleate + Octane, + p-Xylene, + Toluene, and + Chloroform
Exarchos, N. C.
;
Tasioula-Margari, M.
;
Demetropoulos, I. N.
24-Nov-2015
-