This index last updated: 13/12/2021

Journal of Molecular Modeling

 

2019
SilvaC.F.BorgesK.B.NascimentoC.S.
Computational study on acetamiprid-molecular imprinted polymer
Journal of Molecular Modeling25 (4), Article104.
DOI: 10.1007/s00894-019-3990-y

 

2016
TerracinaJ.J.BergkvistM.SharfsteinS.T.
Computational investigation of stoichiometric effectsbinding site heterogeneitiesand selectivities of molecularly imprinted polymers
Journal of Molecular Modeling22 (6), ArticleNo139.
DOI: 10.1007/s00894-016-3005-1

 

2016
GündegerE.SelçukiC.OkutucuB.
Modeling prepolymerization step of a serotonin imprinted polymer
Journal of Molecular Modeling22 (7), ArticleNo148.
DOI: 10.1007/s00894-016-3018-9

 

2016
DouhayaY.V.BarkalineV.V.TsakalofA.
Computer-simulation-based selection of optimal monomer for imprinting of tri-O-acetyl adenosine in a polymer matrix: calculations for benzene solution
Journal of Molecular Modeling22 (7), ArticleNo154.
DOI: 10.1007/s00894-016-3030-0

 

2016
ChengX.L.
TD-M06-2X insights into the absorption and emission spectra of dichlorvos and its molecularly imprinted recognition by methacrylic acid
Journal of Molecular Modeling22 (11), ArticleNo282.
DOI: 10.1007/s00894-016-3151-5

 

2015
DaiZ.Q.LiuJ.B.TangS.S.WangY.WangY.M.JinR.F.
Optimization of enrofloxacin-imprinted polymers by computer-aided design
Journal of Molecular Modeling21 (11), ArticleNo290.
DOI: 10.1007/s00894-015-2836-5

 

2014
LiuJ.B.DaiZ.Q.LiB.TangS.S.JinR.F.
Utilization of theoretical studies of the imprinting ratio to guide experimental research into the molecular imprinted polymers formed using enrofloxacin and methacrylic acid
Journal of Molecular Modeling20 (10), Article no 2456.
DOI: 10.1007/s00894-014-2456-5

 

2013
TadiK.K.MotghareR.V.
Rational synthesis of pindolol imprinted polymer by non-covalent protocol based on computational approach
Journal of Molecular Modeling19 (8), 3385-3396.
DOI: 10.1007/s00894-013-1856-2

 

2013
MojicaE.R.E.
Screening of different computational models for the preparation of sol-gel imprinted materials
Journal of Molecular Modeling19 (9), 3911-3923.
DOI: 10.1007/s00894-013-1928-3

 

2013
BarkalineV.V.DouhayaY.V.TsakalofA.
Computer simulation based selection of optimal monomer for imprinting of tri-O-acetiladenosine in polymer matrix: vacuum calculations
Journal of Molecular Modeling19 (1), 359-369.
DOI: 10.1007/s00894-012-1561-6

 

2012
PardeshiS.PatrikarR.DhodapkarR.KumarA.
Validation of computational approach to study monomer selectivity toward the template Gallic acid for rational molecularly imprinted polymer design
Journal of Molecular Modeling18 (11), 4797-4810.
DOI: 10.1007/s00894-012-1481-5

 

2012
KhanM.S.WateP.S.KrupadamR.J.
Combinatorial screening of polymer precursors for preparation of benzo[[alpha]] pyrene imprinted polymer: an ab initio computational approach
Journal of Molecular Modeling18 (5), 1969-1981.
DOI: 10.1007/s00894-011-1218-x

 

2009
RiahiS.Edris-TabriziF.JavanbakhtM.GanjaliM.R.NorouziP.
A computational approach to studying monomer selectivity towards the template in an imprinted polymer
Journal of Molecular Modeling15 (7), 829-836.
DOI: 10.1007/s00894-008-0437-2