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1

Interpolation schemes for peptide rearrangements

Bauer, Marianne S., Strodel, Birgit, Fejer, Szilard N., Koslover, Elena F., Wales, David J.

Journal:

The Journal of Chemical Physics

Année:

2010

Langue:

english

Fichier:

PDF, 431 KB

english, 2010

2

Symmetrization of the AMBER and CHARMM force fields

Edyta Małolepsza, Birgit Strodel, Mey Khalili, Semen Trygubenko, Szilard N. Fejer, David J. Wales

Journal:

Journal of Computational Chemistry

Année:

2010

Langue:

english

Fichier:

PDF, 380 KB

english, 2010

3

Information accumulation in helical oligopeptide structures

Bela Viskolcz, Szilard N. Fejer, Svend J. Knak Jensen, Andras Perczel, Imre G. Csizmadia

Journal:

Chemical Physics Letters

Année:

2007

Langue:

english

Fichier:

PDF, 257 KB

english, 2007

4

Conformational effects of the valine sidechain on the βLβL extended and Type I beta turn backbone structures of MeCO-Val-Ala-NHMe and MeCO-Ala-Val-NHMe. An ab initio exploratory conformational study

Szilárd N Fejér, Zsuzsanna A Jenei, Gábor Paragi

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2003

Langue:

english

Fichier:

PDF, 232 KB

english, 2003

5

Molecular orbital computations on lipids: an ab initio exploratory study on the conformations of glycerol and its fluorine congeners

Jacqueline M.S. Law, Szilard N. Fejer, David H. Setiadi, Gregory A. Chass, Bela Viskolcz

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2005

Langue:

english

Fichier:

PDF, 1.14 MB

english, 2005

6

Hydrogen bondings in deoxynivalenol (DON) conformations—a density functional study

Christina M. Nagy, Szilard N. Fejer, Livia Berek, Joseph Molnar, Bela Viskolcz

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2005

Langue:

english

Fichier:

PDF, 293 KB

english, 2005

7

Thermodynamic functions of conformational changes, part IV: Functional analysis of conformational entropy of substituted ethane and methanol

Béla Viskolcz, Milan Szori, Robert Izsak, Szilard N. Fejer, Imre G. Csizmadia

Journal:

International Journal of Quantum Chemistry

Année:

2007

Langue:

english

Fichier:

PDF, 470 KB

english, 2007

8

Erratum: Symmetrization of the AMBER and CHARMM force fields [J. Comp. Chem. 31, 1402]

Edyta Małolepsza, Birgit Strodel, Mey Khalili, Semen Trygubenko, Szilard Fejer, Joanne M. Carr, David J. Wales

Journal:

Journal of Computational Chemistry

Année:

2012

Langue:

english

Fichier:

PDF, 419 KB

english, 2012

9

Self-assembly of anisotropic particles

Fejer, Szilard N., Chakrabarti, Dwaipayan, Wales, David J.

Journal:

Année:

2011

Langue:

english

Fichier:

PDF, 584 KB

english, 2011

10

Local Frustration Determines Molecular and Macroscopic Helix Structures

Forman, Christopher J., Fejer, Szilard N., Chakrabarti, Dwaipayan, Barker, Paul D., Wales, David J.

Journal:

Journal of Physical Chemistry B

Année:

2013

Langue:

english

Fichier:

PDF, 1.48 MB

english, 2013

11

Emergent Complexity from Simple Anisotropic Building Blocks: Shells, Tubes, and Spirals

Fejer, Szilard N., Chakrabarti, Dwaipayan, Wales, David J.

Journal:

Année:

2010

Langue:

english

Fichier:

PDF, 3.40 MB

english, 2010

12

A left-handed building block self-assembles into right- and left-handed helices

Olesen, Scott W., Fejer, Szilard N., Chakrabarti, Dwaipayan, Wales, David J.

Journal:

Année:

2013

Langue:

english

Fichier:

PDF, 589 KB

english, 2013

13

Global optimization of cholic acid aggregates

Jójárt, Balázs, Viskolcz, Béla, Poša, Mihalj, Fejer, Szilard N.

Journal:

The Journal of Chemical Physics

Année:

2014

Langue:

english

Fichier:

PDF, 748 KB

english, 2014

14

Helix compactness and stability: Electron structure calculations of conformer dependent thermodynamic functions

Jákli, Imre, Csizmadia, Imre G., Fejer, Szilard N., Farkas, Ödön, Viskolcz, Bela, Knak Jensen, Svend J., Perczel, Andras

Journal:

Chemical Physics Letters

Année:

2013

Langue:

english

Fichier:

PDF, 1.45 MB

english, 2013

15

Design principles for Bernal spirals and helices with tunable pitch

Fejer, Szilard N., Chakrabarti, Dwaipayan, Kusumaatmaja, Halim, Wales, David J.

Journal:

Année:

2014

Langue:

english

Fichier:

PDF, 1.92 MB

english, 2014

16

Thermodynamic Functions of Conformational Changes: Conformational Network of Glycine Diamide Folding, Entropy Lowering, and Informational Accumulation

Fejer, Szilard N., Csizmadia, Imre G., Viskolcz, Bela

Journal:

Journal of Physical Chemistry A

Année:

2006

Langue:

english

Fichier:

PDF, 536 KB

english, 2006

17

Thermodynamic Functions of Conformational Changes. 2. Conformational Entropy as a Measure of Information Accumulation

Viskolcz, Bela, Fejer, Szilard N., Csizmadia, Imre G.

Journal:

Journal of Physical Chemistry A

Année:

2006

Langue:

english

Fichier:

PDF, 192 KB

english, 2006

18

First-Principle Computational Study on the Full Conformational Space of l -Threonine Diamide, the Energetic Stability of Cis and Trans Isomers

Sahai, Michelle A., Fejer, Szilard N., Viskolcz, Bela, Pai, Emil F., Csizmadia, Imre G.

Journal:

Journal of Physical Chemistry A

Année:

2006

Langue:

english

Fichier:

PDF, 1006 KB

english, 2006

19

Energy landscapes for shells assembled from pentagonal and hexagonal pyramids

Fejer, Szilard N., James, Tim R., Hernández-Rojas, Javier, Wales, David J.

Journal:

Physical Chemistry Chemical Physics

Année:

2009

Langue:

english

Fichier:

PDF, 1.69 MB

english, 2009

20

Helix Self-Assembly from Anisotropic Molecules

Fejer, Szilard N., Wales, David J.

Journal:

Physical Review Letters

Année:

2007

Langue:

english

Fichier:

PDF, 2.01 MB

english, 2007

21

Design of a Kagome lattice from soft anisotropic particles

Fejer, Szilard N., Wales, David J.

Journal:

Année:

2015

Langue:

english

Fichier:

PDF, 5.78 MB

english, 2015

22

Predicting the Initial Steps of Salt-Stable Cowpea Chlorotic Mottle Virus Capsid Assembly with Atomistic Force Fields

Antal, Zoltan, Szoverfi, Janos, Fejer, Szilard N.

Journal:

Journal of Chemical Information and Modeling

Année:

2017

Langue:

english

Fichier:

PDF, 10.67 MB

english, 2017

23

Designing hierarchical molecular complexity: icosahedra of addressable icosahedra

Fejer, Szilard N., Mantell, Rosemary G., Wales, David J.

Journal:

Molecular Physics

Année:

2018

Langue:

english

Fichier:

PDF, 1.96 MB

english, 2018

24

Vibrational and photoluminescence properties of polydiphenylamine doped with silicotungstic acid heteropolyanions and their composites with reduced graphene oxide

Baibarac, Mihaela, Stroe, Malvina, Fejer, Szilard N.

Journal:

Journal of Molecular Structure

Année:

2019

Fichier:

PDF, 2.43 MB

2019

25

Vibrational and photoluminescence properties of polydiphenylamine doped with silicotungstic acid heteropolyanions and their composites with reduced graphene oxide

Baibarac, Mihaela, Stroe, Malvina, Fejer, Szilard N.

Journal:

Journal of Molecular Structure

Année:

2019

Langue:

english

Fichier:

PDF, 2.43 MB

english, 2019

26

[Progress in Molecular Biology and Translational Science] || Minimalistic coarse-grained modeling of viral capsid assembly

Fejer, Szilard N.

Année:

2019

Langue:

english

Fichier:

PDF, 1.84 MB

english, 2019

27

[Progress in Molecular Biology and Translational Science] || Minimalistic coarse-grained modeling of viral capsid assembly

Fejer, Szilard N.

Année:

2019

Fichier:

PDF, 1.84 MB

2019

28

Reusable on-plate immunoprecipitation method with covalently immobilized antibodies on a protein G covered microtiter plate

Korodi, MÃ³nika, RÃ¡kosi, Kinga, Baibarac, Mihaela, Fejer, Szilard N.

Journal:

Journal of Immunological Methods

Année:

2020

Fichier:

PDF, 2.55 MB

2020