Molecular Simulation, Volume 40, Issue 12 (2014)

Browse this journal
Sample our Computer Science journals, sign in here to start your access, latest two full volumes FREE to you for 14 days

Molecular Simulation, Volume 40, Issue 12 (2014)

See all volumes and issues
Vol 50, 2024 Vol 49, 2023 Vol 48, 2022 Vol 47, 2021 Vol 46, 2020 Vol 45, 2019 Vol 44, 2018 Vol 43, 2017 Vol 42, 2016 Vol 41, 2015 Volume 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
Design of specific inhibitors of the protein tyrosine phosphatase SHP-2 by virtual screening and core hopping method
Yuan-Yuan Jin, Ying Ma, Quan-Xiong Gao, Run-Ling Wang, Shu-Qing Wang & Wei-Ren Xu
Pages: 904-911
Published online: 09 Aug 2013
AbstractforDesign of specific inhibitors of the protein tyrosine phosphatase SHP-2 by virtual screening and core hopping method | Full Text | References | PDF (544.6 KB)
  • 204 Views
  • 3 CrossRef citations
  • 0Altmetric
Article
Testing the inter-operability of the CHARMM and SPC/Fw force fields for conformational sampling
Jasmine L. Desmond, P. Mark Rodger & Tiffany R. Walsh
Pages: 912-921
Published online: 03 Sep 2013
AbstractforTesting the inter-operability of the CHARMM and SPC/Fw force fields for conformational sampling | Full Text | References | PDF (394.4 KB)
  • 317 Views
  • 6 CrossRef citations
  • 0Altmetric
Article
The interplay between the clustering of transmembrane proteins and coupling of anchored membrane proteins
Tongtao Yue, Diwen Feng & Xianren Zhang
Pages: 922-933
Published online: 09 Aug 2013
AbstractforThe interplay between the clustering of transmembrane proteins and coupling of anchored membrane proteins | Full Text | References | PDF (858 KB)
  • 103 Views
  • 0 CrossRef citations
  • 0Altmetric
Article
The impact of line tension on the contact angle of nanodroplets
Hong Peng, Greg R. Birkett & Anh V. Nguyen
Pages: 934-941
Published online: 05 Sep 2013
AbstractforThe impact of line tension on the contact angle of nanodroplets | Full Text | References | PDF (363.7 KB)
  • 645 Views
  • 36 CrossRef citations
  • 0Altmetric
Article
Combined theoretical studies on solvation and hydrogen bond interactions in glycine tripeptide
Balasubramaniam Yogeswari, Ramasamy Kanakaraju, Subramaniam Boopathi & Ponmalai Kolandaivel
Pages: 942-958
Published online: 05 Sep 2013
AbstractforCombined theoretical studies on solvation and hydrogen bond interactions in glycine tripeptide | Full Text | References | PDF (1.1 MB)
  • 169 Views
  • 3 CrossRef citations
  • 0Altmetric
Article
Computer-assisted design of novel 1,4-dihydropyridine calcium channel blockers
Estella G. da Mota, Daniel G. Silva, Maria C. Guimarães, Elaine F.F. da Cunha & Matheus P. Freitas
Pages: 959-965
Published online: 05 Sep 2013
AbstractforComputer-assisted design of novel 1,4-dihydropyridine calcium channel blockers | Full Text | References | PDF (266.6 KB) | Supplemental
  • 138 Views
  • 3 CrossRef citations
  • 0Altmetric
Article
A Monte Carlo study of equilibrium transition in finite cylindrical pores
Zhongjun Liu, Van T. Nguyen, D.D. Do & D. Nicholson
Pages: 966-975
Published online: 16 Sep 2013
AbstractforA Monte Carlo study of equilibrium transition in finite cylindrical pores | Full Text | References | PDF (783.4 KB)
  • 152 Views
  • 2 CrossRef citations
  • 0Altmetric
Article
Molecular dynamics simulation of O2 diffusion in polydimethylsiloxane (PDMS) and end-linked PDMS networks
Varun Ullal & Douglas E. Spearot
Pages: 976-986
Published online: 05 Sep 2013
AbstractforMolecular dynamics simulation of O2 diffusion in polydimethylsiloxane (PDMS) and end-linked PDMS networks | Full Text | References | PDF (605.2 KB)
  • 685 Views
  • 13 CrossRef citations
  • 0Altmetric

Explore articles