Szerző: " Csizmadia Imre Gyula"

Hamid Ahmad Kamal M.; Salvatore Joanna C.; Wang Ke; Murahari Prashantha; Guljas Andrea; Rágyanszki Anita; Owen Michael Christopher; Jójárt Balázs; Szőri Milán; Csizmadia Imre Gyula; Viskolcz Béla; Fiser Béla: Oxidatively-mediated in silico epimerization of a highly amyloidogenic segment in the human calcitonin hormone (hCT15-19).
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 80. pp. 259-269. ISSN 1476-9271 (2019)

Rágyanszki Anita; Gerlei Klára Z.; Surányi Attila; Kelemen András; Knak Jensen Svend J.; Csizmadia Imre Gyula; Viskolcz Béla: Big data reduction by fitting mathematical functions: A search for appropriate functions to fit Ramachandran surfaces.
CHEMICAL PHYSICS LETTERS, 625. pp. 91-97. ISSN 0009-2614 (2015)

Szórád János József; Pongráczné Faragó Eszter; Rágyanszki Anita; Cimino Franco A.; Fiser Béla; Owen Michael Christopher; Jójárt Balázs; Morgado Claudio A.; Szőri Milán; Jensen Knak Svend J.; Csizmadia Imre Gyula; Viskolcz Béla: Conformation change of opiorphin derivates. A theoretical study of the radical initiated epimerization of opiorphin.
Chemical Physics Letters, 626. pp. 29-38. ISSN 00092614 (2015)

Fiser Béla; Jójárt Balázs; Szőri Milán; Lendvay György; Csizmadia Imre Gyula; Viskolcz Béla: Glutathione as a Prebiotic Answer to α-Peptide Based Life.
The Journal of Physical Chemistry B, 119 (10). pp. 3940-3947. ISSN 1520-6106 (2015)

Fiser Béla; Szőri Milán; Jójárt Balázs; Izsák Róbert; Csizmadia Imre Gyula; Viskolcz Béla: Antioxidant Potential of Glutathione: A Theoretical Study.
The Journal of Physical Chemistry B, 115 (38). pp. 11269-11277. ISSN 1520-6106 (2011)

Szőri Milán; Fittschen Christa; Csizmadia Imre Gyula; Viskolcz Béla: Allylic H-Abstraction Mechanism: The Potential Energy Surface of the Reaction of Propene with OH Radical.
Journal of Chemical Theory and Computation, 2 (6). pp. 1575-1586. ISSN 1549-9618 (2006)

Torday László; Jensen SJK; Csizmadia Imre Gyula: Are nitrate esters likely to produce peroxy containing species?
MEDICINAL CHEMISTRY RESEARCH, 12 (3). pp. 139-146. ISSN 1054-2523 (2003)

Almeida DRP; Gasparro DM; Pisterzi LF; Torday László; Varró András; Papp Gyula; Penke Botond; Csizmadia Imre Gyula: Molecular study on the enantiomeric relationships of carvedilol fragment A, 4-(2-hydroxypropoxy)carbazol, along with selected analogues.
JOURNAL OF PHYSICAL CHEMISTRY A, 107 (29). pp. 5594-5610. ISSN 1089-5639 (2003)

Zamarbide Graciela N.; Estrada Mario R.; Zamora Miguel A.; Torday László; Enriz Ricardo D.; Vert Francisco Tomas; Csizmadia Imre Gyula: An ab initio conformational study on captopril.
JOURNAL OF MOLECULAR STRUCTURE: THEOCHEM, 666-667. pp. 599-608. ISSN 0166-1280 (2003)

Pisterzi Luca F.; Almeida David R.P.; Chasse Gregory Adam; Torday László; Papp Gyula; Varró András; Csizmadia Imre Gyula: Density Functional Molecular Computations on Protonated Serotonin in the Gas Phase and Various Solvent Media.
CHEMICAL PHYSICS LETTERS, 365 (5-6). pp. 542-551. ISSN 0009-2614 (2002)

Almeida David R. P.; Pisterzi Luca F.; Chasse Gregory Adam; Torday László; Varró András; Papp Gyula; Csizmadia Imre Gyula: Density Functional Molecular Study on the Full Conformational Space of the S-4-(2-Hydroxypropoxy)carbazol Fragment of Carvedilol (1-(9H−Carbazol-4-yloxy)-3- [2-(2-methoxyphenoxy)ethylamino]-2-propanol) in Vacuum and in Different Solvent Media.
JOURNAL OF PHYSICAL CHEMISTRY A, 106 (43). pp. 10423-10436. ISSN 1089-5639 (2002)

Koo Joseph C. P.; Chasse Gregory Adam; Perczel András; Farkas Ödön; Torday László; Varró András; Papp Gyula; Csizmadia Imre Gyula: Exploration of the four-dimensional-conformational potential energy hypersurface of N-acetyl-L-aspartic acid N'-methylamide with its internally hydrogen bonded side-chain orientation.
JOURNAL OF PHYSICAL CHEMISTRY A, 106 (30). pp. 6999-7009. ISSN 1089-5639 (2002)

Koo J. C. P.; Chasse Gregory Adam; Perczel András; Farkas Ödön; Varró András; Torday László; Papp Gyula; Csizmadia Imre Gyula: N-acetyl-l-aspartic acid-N'-methylamide with side-chain orientation capable of external hydrogen bonding.
EUROPEAN PHYSICAL JOURNAL D, 20 (3). pp. 499-511. ISSN 1434-6060 (2002)

Setiadi D.H.; Chasse Gregory Adam; Torday László; Varró András; Papp Gyula; Csizmadia Imre Gyula: Vitamin E models - The effect of heteroatom substitution in 2-ethyl-2-methyl chroman and 2-ethyl-2-methyl-6-hydroxychroman.
EUROPEAN PHYSICAL JOURNAL D, 20 (3). pp. 609-618. ISSN 1434-6060 (2002)

Füzéry A. K.; Burcl R.; Torday László; Császár P.; Farkas Ödön; Perczel András; Zamora M. A.; Papp Gyula; Penke Botond; Piecuch P.; Csizmadia Imre Gyula: Can NO2+ exist in bent or cyclic forms?
CHEMICAL PHYSICS LETTERS, 334 (4-6). pp. 381-386. ISSN 0009-2614 (2001)

Berg M.A.; Chasse Gregory Adam; Deretey E.; Fuzery A.K.; Fung B.M.; Fung D.Y.K.; Henry-Riyad H.; Lin A.C.; Mak M.L.; Mantas A.; Perczel András; Csonka Gábor István; Farkas Ödön; Torday László; Csizmadia Imre Gyula; et al.: Prospects in computational molecular medicine: a millennial mega-project on peptide folding.
JOURNAL OF MOLECULAR STRUCTURE: THEOCHEM, 500 (1-3). pp. 5-58. ISSN 0166-1280 (2000)

Torday László; Santillán Marta B.; Ciuffo Gladys M.; Jauregni Esteban A.; Pataricza János; Papp Gyula; Csizmadia Imre Gyula: Lewis acidity of NO+ and NO2+ as measured by their affinity to selected bases. An ab initio background study of biological NO release.
JOURNAL OF MOLECULAR STRUCTURE: THEOCHEM, 465 (1). pp. 69-78. ISSN 0166-1280 (1999)

Baldoni Hector A.; Rodriguez Ana M.; Zamora Miguel A.; Zamarbide Graciela N.; Enriz Ricardo D.; Farkas Ödön; Császár Pál; Torday László; Sosa Carlos P.; Jákli Imre; Perczel András; Papp Gyula; Hollósi Miklós; Csizmadia Imre Gyula: Peptide Models - XXIV: An ab Initio Study on N-formyl-l-prolinamide With Trans Peptide Bond. The Existence or Non-existence of Alpha(l) And Epsilon(l) Conformations.
JOURNAL OF MOLECULAR STRUCTURE: THEOCHEM, 465 (1). pp. 79-91. ISSN 0166-1280 (1999)

Santagata LN; Suvire FD; Enriz RD; Torday László; Csizmadia Imre Gyula: A geometrical algorithm to search the conformational space (GASCOS) of flexible molecules.
JOURNAL OF MOLECULAR STRUCTURE: THEOCHEM, 465 (1). pp. 33-67. ISSN 0166-1280 (1999)

Rodriguez AM; Baldoni HA; Suvire F; Vazquez RN; Zamarbide G; Enriz RD; Farkas Ödön; Perczel András; Torday László; McAllister MA; Papp Gyula; Csizmadia Imre Gyula: Characteristics of Ramachandran maps of L-alanine diamides as computed by various molecular mechanics, semiempirical and ab initio MO methods. A search for primary standard of peptide conformational stability.
JOURNAL OF MOLECULAR STRUCTURE: THEOCHEM, 455 (2-3). pp. 275-301. ISSN 0166-1280 (1998)