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return kwic search for molecular out of >500 occurrences
333489 occurrences (No.56 in the rank) during 5 years in the PubMed. [no cache] 500 found

125) We measured the average distance between basic residues throughout the 3D structure of AMPs by defining Dpr parameter and calculated the interaction free energy for 10 AMPs that interacted with the DPPC membrane using molecular dynamics simulation.

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PMID:24621111 DOI:10.1080/07391102.2014.893204

2015 Journal of biomolecular structure & dynamics

* The effect of structural parameters and positive charge distance on the interaction free energy of antimicrobial peptides with membrane surface.

- Many attempts have been made to find hints explaining the relationship between physicochemical and structural properties of antimicrobial peptides (AMPs) which are relevant to their antimicrobial activities. We here found that there is a difference in the percentages of hydrophobic, hydrophilic, and charged residues between AMPs killing both bacteria and fungi (Group A) and AMPs that only kill bacteria (Group B). The percentage of charged residues in Group A AMPs is highly elevated, while in Group B the percentage of hydrophobic residues is increased. This result suggests a sequence-based mechanism of selectivity for AMPs. Moreover, we examined how the distance between basic residues affects the interaction free energy of AMPs with the membrane surface, since most of the known AMPs act by membrane perturbation. We measured the average distance between basic residues throughout the 3D structure of AMPs by defining Dpr parameter and calculated the interaction free energy for 10 AMPs that interacted with the DPPC membrane using molecular dynamics simulation. We found that the changes of the interaction free energy correlates with the change of Dpr by a linear regression coefficient of r(2 )= .47 and a cubic regression coefficient of r(2 )= .70.

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(1)52 mechanisms	(19)5 docking	(37)3 recognition	(55)2 heparin
(2)26 weight	(20)5 information	(38)3 serotyping	(56)2 identification
(3)18 data	(21)5 methods	(39)3 sieve	(57)2 knowledge
(4)18 mechanism	(22)5 modeling	(40)3 structure	(58)2 mass
(5)16 dynamics	(23)5 phylogenetic	(41)3 techniques	(59)2 mechanisms,
(6)15 and	(24)5 targets	(42)3 variance	(60)2 or
(7)10 analysis	(25)4 diagnosis	(43)2 Dynamics	(61)2 oxygen
(8)10 basis	(26)4 interactions	(44)2 approach	(62)2 perspectives
(9)8 characterization	(27)4 level	(45)2 biological	(63)2 phenotypic
(10)7 epidemiology	(28)4 level,	(46)2 classification	(64)2 phylogenies
(11)7 genetic	(29)4 responses	(47)2 clock	(65)2 probes
(12)7 imaging	(30)4 target	(48)2 dating	(66)2 profiles
(13)6 biology	(31)3 evolution	(49)2 details	(67)2 subtype
(14)6 changes	(32)3 features	(50)2 diffusion	(68)2 therapies
(15)6 markers	(33)3 levels	(51)2 effects	(69)2 underpinnings
(16)6 pathways	(34)3 marker	(52)2 events
(17)5 analyses	(35)3 medicine	(53)2 evidence
(18)5 characteristics	(36)3 orbital	(54)2 genetics

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--- WordNet output for molecular --- =>分子の Overview of adj molecular The adj molecular has 2 senses (first 1 from tagged texts) 1. (6) molecular -- (relating to or produced by or consisting of molecules; "molecular structure"; "molecular oxygen"; "molecular weight is the sum of all the atoms in a molecule") 2. molecular -- (relating to simple or elementary organization; "proceed by more and more detailed analysis to the molecular facts of perception"--G.A. Miller) --- WordNet end ---