Comparative Study of Force Fields for Benzene

The Journal of Physical Chemistry ◽

10.1021/jp9535194 ◽

1996 ◽

Vol 100 (23) ◽

pp. 9624-9630 ◽

Author(s):

Grant D. Smith ◽

Richard L. Jaffe

Keyword(s):

Comparative Study ◽

Download Full-text

Comparative Study of Force Fields for Molecular Dynamics Simulations of α-Glycine Crystal Growth from Solution

Crystal Growth & Design ◽

10.1021/cg100906s ◽

2010 ◽

Vol 10 (12) ◽

pp. 5146-5158 ◽

Author(s):

Daniel W. Cheong ◽

Yi Di Boon

Keyword(s):

Molecular Dynamics ◽

Crystal Growth ◽

Comparative Study ◽

Molecular Dynamics Simulations ◽

Force Fields ◽

Growth From Solution ◽

Dynamics Simulations

Download Full-text

Comparative Study of Carbon Force Fields for the Simulation of Carbon Onions

Australian Journal of Chemistry ◽

10.1071/ch21172 ◽

2021 ◽

Author(s):

Alireza Aghajamali ◽

Amir Karton

Keyword(s):

Comparative Study ◽

Force Fields ◽

Download Full-text

A Comparative Study of Two Different Force Fields on Structural and Thermodynamics Character of H1 Peptide via Molecular Dynamics Simulations

Journal of Biomolecular Structure and Dynamics ◽

10.1080/07391102.2010.10508579 ◽

2010 ◽

Vol 27 (5) ◽

pp. 651-661 ◽

Author(s):

Zanxia Cao ◽

Jihua Wang

Keyword(s):

Molecular Dynamics ◽

Comparative Study ◽

Molecular Dynamics Simulations ◽

Force Fields ◽

Dynamics Simulations

Download Full-text

Base Flipping in a GCGC Containing DNA Dodecamer: A Comparative Study of the Performance of the Nucleic Acid Force Fields, CHARMM, AMBER, and BMS

Journal of Chemical Theory and Computation ◽

10.1021/ct0501957 ◽

2005 ◽

Vol 2 (1) ◽

pp. 187-200 ◽

Author(s):

U. Deva Priyakumar ◽

Alexander D. MacKerell

Keyword(s):

Nucleic Acid ◽

Comparative Study ◽

Force Fields ◽

Base Flipping ◽

Download Full-text

Comparative Study of Commonly Used Molecular Dynamics Force Fields for Modeling Organic Monolayers on Water

The Journal of Physical Chemistry B ◽

10.1021/jp1116867 ◽

2011 ◽

Vol 115 (14) ◽

pp. 3964-3971 ◽

Author(s):

Michael B. Plazzer ◽

David J. Henry ◽

George Yiapanis ◽

Irene Yarovsky

Keyword(s):

Molecular Dynamics ◽

Comparative Study ◽

Force Fields ◽

Organic Monolayers

Download Full-text

Faculty Opinions recommendation of Influence of polarization on carbohydrate hydration: A comparative study using additive and polarizable force fields.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.726407221.793519663 ◽

2016 ◽

Author(s):

Alex MacKerell

Keyword(s):

Comparative Study ◽

Force Fields ◽

Polarizable Force Fields

Download Full-text

Influence of Polarization on Carbohydrate Hydration: A Comparative Study Using Additive and Polarizable Force Fields

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.6b05546 ◽

2016 ◽

Vol 120 (27) ◽

pp. 6621-6633 ◽

Author(s):

Poonam Pandey ◽

Sairam S. Mallajosyula

Keyword(s):

Comparative Study ◽

Force Fields ◽

Polarizable Force Fields

Download Full-text

A comparative study of MP2, B3LYP, RHF and SCC-DFTB force fields in predicting the vibrational spectra of N-acetyl-L-alanine-N'-methyl amide: VA and VCD spectra

Chemical Physics ◽

10.1016/s0301-0104(99)00176-7 ◽

1999 ◽

Vol 246 (1-3) ◽

pp. 13-36 ◽

Author(s):

H.G. Bohr ◽

K.J. Jalkanen ◽

M. Elstner ◽

K. Frimand ◽

S. Suhai

Keyword(s):

Comparative Study ◽

Vibrational Spectra ◽

Download Full-text

A comparative study of force fields for predicting shape memory properties of liquid crystalline elastomers using molecular dynamic simulations

Journal of Applied Physics ◽

10.1063/5.0044197 ◽

2021 ◽

Vol 129 (15) ◽

pp. 155101

Author(s):

P. Prathumrat ◽

I. Sbarski ◽

E. Hajizadeh ◽

M. Nikzad

Keyword(s):

Comparative Study ◽

Shape Memory ◽

Molecular Dynamic ◽

Liquid Crystalline ◽

Force Fields ◽

Molecular Dynamic Simulations ◽

Dynamic Simulations ◽

Shape Memory Properties

Download Full-text

Normal Coordinate Analysis of 5’-CMP. A Comparative Study with Different Force Fields

Spectroscopy of Biological Molecules ◽

10.1007/978-94-011-0371-8_128 ◽

1995 ◽

pp. 289-290

Author(s):

J. M. Gavira ◽

A. Hernanz ◽

R. Navarro

Keyword(s):

Comparative Study ◽

Force Fields ◽

Normal Coordinate Analysis ◽

Normal Coordinate

Download Full-text