Molecular Simulation, Volume 46, Issue 3 (2020)

Browse this journal
Sample our Mathematics & Statistics journals, sign in here to start your FREE access for 14 days

Molecular Simulation, Volume 46, Issue 3 (2020)

See all volumes and issues
Vol 50, 2024 Vol 49, 2023 Vol 48, 2022 Vol 47, 2021 Volume 46, 2020 Vol 45, 2019 Vol 44, 2018 Vol 43, 2017 Vol 42, 2016 Vol 41, 2015 Vol 40, 2014 Vol 39, 2013 Vol 38, 2012 Vol 37, 2011 Vol 36, 2010 Vol 35, 2009 Vol 34, 2008 Vol 33, 2007 Vol 32, 2006 Vol 31, 2005 Vol 30, 2004 Vol 29, 2003 Vol 28, 2002 Vol 27, 2001 Vol 26, 2001 Vol 25, 2000 Vol 24, 2000 Vol 23, 1999-2000 Vol 22, 1999 Vol 21, 1998-1999 Vol 20, 1997-1998 Vol 19, 1997 Vol 18, 1996-1997 Vol 17, 1996 Vol 16, 1996 Vol 15, 1995 Vol 14, 1994-1995 Vol 13, 1994 Vol 12, 1994 Vol 11, 1993 Vol 10, 1993 Vol 9, 1992-1993 Vol 8, 1991-1992 Vol 7, 1991 Vol 6, 1991 Vol 5, 1990-1991 Vol 4, 1989-1990 Vol 3, 1989 Vol 2, 1989 Vol 1, 1987-1988
Download citations Download PDFs Download issue

Articles

Article
Structure-based screening and molecular dynamics simulation studies for the identification of potential acetylcholinesterase inhibitors
Ankit Ganeshpurkar, Ravi Singh, Pravin Gangaram Gore, Devendra Kumar, Gopichand Gutti, Ashok Kumar & Sushil Kumar Singh
Pages: 169-185
Published online: 27 Oct 2019
AbstractforStructure-based screening and molecular dynamics simulation studies for the identification of potential acetylcholinesterase inhibitors | Full Text | References | PDF (4.4 MB) | EPUB | Supplemental
  • 574 Views
  • 17 CrossRef citations
  • 0Altmetric
Article
DFT simulation of Watson–Crick-like guanine–thymine mismatch in quaternary systems involving DNA bases
Zahra Anvari, Hamid Reza Masoodi & Sotoodeh Bagheri
Pages: 186-192
Published online: 06 Dec 2019
AbstractforDFT simulation of Watson–Crick-like guanine–thymine mismatch in quaternary systems involving DNA bases | Full Text | References | PDF (1 MB) | EPUB | Supplemental
  • 93 Views
  • 1 CrossRef citations
  • 0Altmetric
Article
Free energy calculation using space filled design and weighted reconstruction: a modified single sweep approach
Anindya Bhaduri, Jasmine Gardner, Cameron F. Abrams & Lori Graham-Brady
Pages: 193-206
Published online: 18 Nov 2019
AbstractforFree energy calculation using space filled design and weighted reconstruction: a modified single sweep approach | Full Text | References | PDF (2.4 MB) | EPUB
  • 145 Views
  • 2 CrossRef citations
  • 0Altmetric
Article
Theoretical study of Schiff bases reactivity prediction of corrosion inhibition effect
Radia Mahboub
Pages: 207-212
Published online: 14 Nov 2019
AbstractforTheoretical study of Schiff bases reactivity prediction of corrosion inhibition effect | Full Text | References | PDF (1.1 MB) | EPUB
  • 223 Views
  • 2 CrossRef citations
  • 0Altmetric
Article
Feasibility of the multi-particle collision dynamics method as a simulation technique for a magnetic particle suspension
Akira Satoh
Pages: 213-223
Published online: 19 Nov 2019
AbstractforFeasibility of the multi-particle collision dynamics method as a simulation technique for a magnetic particle suspension | Full Text | References | PDF (1.9 MB) | EPUB
  • 94 Views
  • 3 CrossRef citations
  • 0Altmetric
Article
Wetting of single crystalline and amorphous silicon surfaces: effective range of intermolecular forces for wetting
H. Gokberk Ozcelik, A. Cihan Ozdemir, Bohung Kim & Murat Barisik
Pages: 224-234
Published online: 25 Nov 2019
AbstractforWetting of single crystalline and amorphous silicon surfaces: effective range of intermolecular forces for wetting | Full Text | References | PDF (5.1 MB) | EPUB
  • 422 Views
  • 10 CrossRef citations
  • 0Altmetric
Article
Modelling of Ca2+-promoted structural effects in wild type and post-translationally modified Connexin26
Paolo Calligari, Mauro Torsello, Marco Bortoli, Laura Orian & Antonino Polimeno
Pages: 235-245
Published online: 27 Nov 2019
AbstractforModelling of Ca2+-promoted structural effects in wild type and post-translationally modified Connexin26 | Full Text | References | PDF (2.8 MB) | EPUB | Supplemental
  • 97 Views
  • 0 CrossRef citations
  • 0Altmetric
Article
A combined force field for the silica/nickel system
Sergio Damián-Vázquez, Juan F. J. Alvarado & Edgar O. Castrejón-González
Pages: 246-252
Published online: 26 Nov 2019
AbstractforA combined force field for the silica/nickel system | Full Text | References | PDF (2.3 MB) | EPUB
  • 290 Views
  • 2 CrossRef citations
  • 0Altmetric

Explore articles