Are nitrate esters likely to produce peroxy containing species?

Torday László, Jensen SJK, Csizmadia Imre Gyula
2003

Allylic H-Abstraction Mechanism The Potential Energy Surface of the Reaction of Propene with OH Radical /

Szőri Milán, Fittschen Christa, Csizmadia Imre Gyula, Viskolcz Béla
2006

A geometrical algorithm to search the conformational space (GASCOS) of flexible molecules

Santagata LN, Suvire FD, Enriz RD, Torday László, Csizmadia Imre Gyula
1999

Glutathione as a Prebiotic Answer to α-Peptide Based Life

Fiser Béla, Jójárt Balázs, Szőri Milán, Lendvay György, Csizmadia Imre Gyula, Viskolcz Béla
2015

Antioxidant Potential of Glutathione A Theoretical Study /

Fiser Béla, Szőri Milán, Jójárt Balázs, Izsák Róbert, Csizmadia Imre Gyula, Viskolcz Béla
2011

Vitamin E models - The effect of heteroatom substitution in 2-ethyl-2-methyl chroman and 2-ethyl-2-methyl-6-hydroxychroman

Setiadi D.H, Chasse Gregory Adam, Torday László, Varró András, Papp Gyula, Csizmadia Imre Gyula
2002

Molecular study on the enantiomeric relationships of carvedilol fragment A, 4-(2-hydroxypropoxy)carbazol, along with selected analogues

Almeida DRP, Gasparro DM, Pisterzi LF, Torday László, Varró András, Papp Gyula, Penke Botond, Csizmadia Imre Gyula
2003

Big data reduction by fitting mathematical functions A search for appropriate functions to fit Ramachandran surfaces /

Rágyanszki Anita, Gerlei Klára Z., Surányi Attila, Kelemen András, Knak Jensen Svend J., Csizmadia Imre Gyula, Viskolcz Béla
2015

Lewis acidity of NO+ and NO2+ as measured by their affinity to selected bases. An ab initio background study of biological NO release

Torday László, Santillán Marta B., Ciuffo Gladys M., Jauregni Esteban A., Pataricza János, Papp Gyula, Csizmadia Imre Gyula
1999

Density Functional Molecular Computations on Protonated Serotonin in the Gas Phase and Various Solvent Media

Pisterzi Luca F., Almeida David R.P, Chasse Gregory Adam, Torday László, Papp Gyula, Varró András, Csizmadia Imre Gyula
2002

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)et...

Almeida David R. P., Pisterzi Luca F., Chasse Gregory Adam, Torday László, Varró András, Papp Gyula, Csizmadia Imre Gyula
2002

Exploration of the four-dimensional-conformational potential energy hypersurface of N-acetyl-L-aspartic acid N'-methylamide with its internally hydrogen bonded side-chain orientati...

Koo Joseph C. P., Chasse Gregory Adam, Perczel András, Farkas Ödön, Torday László, Varró András, Papp Gyula, Csizmadia Imre Gyula
2002

An ab initio conformational study on captopril

Zamarbide Graciela N., Estrada Mario R., Zamora Miguel A., Torday László, Enriz Ricardo D., Vert Francisco Tomas, Csizmadia Imre Gyula
2003

N-acetyl-l-aspartic acid-N'-methylamide with side-chain orientation capable of external hydrogen bonding

Koo J. C. P., Chasse Gregory Adam, Perczel András, Farkas Ödön, Varró András, Torday László, Papp Gyula, Csizmadia Imre Gyula
2002

Can NO2+ exist in bent or cyclic forms?

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
2001

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 pept...

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
1998

Oxidatively-mediated in silico epimerization of a highly amyloidogenic segment in the human calcitonin hormone (hCT15-19)

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
2019

Conformation change of opiorphin derivates. A theoretical study of the radical initiated epimerization of opiorphin

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
2015

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 /

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
1999

Prospects in computational molecular medicine a millennial mega-project on peptide folding /

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
2000