Interaction and dimerization energies in methyl-blocked α, γ-peptide nanotube segments
R Garcia-Fandino, L Castedo, JR Granja… - The Journal of …, 2010 - ACS Publications
The building blocks of a promising class of peptide nanotubes composed of alternating D-α-
amino acids and (1 R, 3 S)-3-aminocyclohexane (or cyclopentane) carboxylic acid (D-γ-Ach …
amino acids and (1 R, 3 S)-3-aminocyclohexane (or cyclopentane) carboxylic acid (D-γ-Ach …
Molecular dynamics simulations and density functional theory studies of NALMA and NAGMA dipeptides
S Boopathi, P Kolandaivel - Journal of Biomolecular Structure and …, 2013 - Taylor & Francis
Classical molecular dynamics (MD) simulations using fixed charged force field (AMBER ff03)
and density functional theory method using the M05-2X/6-31G∗∗ level of theory have been …
and density functional theory method using the M05-2X/6-31G∗∗ level of theory have been …
Structural Properties and Anion Binding Affinity of cyclo[(1R,3S)-γ-Acc-Gly]3 Hexapeptide
G Praveena, P Kolandaivel - Journal of Biomolecular Structure and …, 2009 - Taylor & Francis
The structural and anion binding properties of all-trans cyclo [(1R, 3S)-γ-Acc-Gly] 3
hexapeptide [named as (TAG) 3] were explored via quantum chemical studies. The (TAG) 3 …
hexapeptide [named as (TAG) 3] were explored via quantum chemical studies. The (TAG) 3 …
Structural analysis and the effect of cyclo (His–Pro) dipeptide on neurotoxins—a dynamics and density functional theory study
A Abiram, P Kolandaivel - Journal of molecular modeling, 2010 - Springer
The switching propensity and maximum probability of occurrence of the side chain imidazole
group in the dipeptide cyclo (His–Pro)(CHP) were studied by applying molecular dynamics …
group in the dipeptide cyclo (His–Pro)(CHP) were studied by applying molecular dynamics …
Cyclo-hexa-peptides at the water/cyclohexane interface: a molecular dynamics simulation
M Cen, JF Fan, DY Liu, XZ Song, J Liu… - Journal of molecular …, 2013 - Springer
Molecular dynamic (MD) simulations have been performed to study the behaviors of ten
kinds of cyclo-hexa-peptides (CHPs) composed of amino acids with the diverse hydrophilic …
kinds of cyclo-hexa-peptides (CHPs) composed of amino acids with the diverse hydrophilic …