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1 ated with the central ring, is the preferred polar group.
2 ordered water molecules depends on the lipid polar group.
3 urn being driven by interactions between non-polar groups.
4 an indirect consequence of the burial of non-polar groups.
5 ting waters become influenced by neighboring polar groups.
6 at are mixtures of charged, hydrophobic, and polar groups.
7 ironment" suitable to the transfer herein of polar groups.
8 the solvation enthalpies of the nonpolar and polar groups.
9 ity, DOX facilitates water transport via its polar groups.
10 ond partners for these otherwise unsatisfied polar groups.
11 olubility was enhanced with incorporation of polar groups.
12 g their lipid-contacting side chains to more polar groups.
13 ure of the solvent-accessible cluster of non-polar groups.
14 ake of structural water around polar and non-polar groups.
15 r the penalty of desolvation of the backbone polar groups.
16 an exclude water from interacting with helix polar groups, according to calculations of water-accessi
17 design via side-chain functionalization with polar groups allows manipulation of ion transport and io
18 Here, we probe how the location of these polar groups along the transmembrane helices affect thei
19 s headgroup at the level of the phospholipid polar group and its terminal methyl group near the bilay
20 hobic interactions, solvent accessibility to polar groups and intrinsic backbone conformational prefe
21 structure only if a sufficient number of non-polar groups are clustered around the backbone hydrogen
22 ding, ionic interactions, and dehydration of polar groups are identified to be key contributions to t
23 steric clashes are not introduced and buried polar groups are not left without a hydrogen bond partne
24 n though the structural perturbations of the polar groups are small, they are very near the redox sit
25 tion of the Schiff base with the surrounding polar groups are the means by which the absorbed energy
26 isozyme inhibition pointed to the side-chain polar groups as strongly influencing inhibition, with th
28 ign and illustrate the role of complementing polar groups associated with buried and surface position
31 rchers are instead enticed to attach charged polar groups at inhibitor scaffolds to improve solubilit
34 protein-DNA complex removes both charged and polar groups at the binding interface from solvent while
35 esult from dehydration of both polar and non-polar groups at the interface and release of counterions
36 Current models describe aromatic rings as polar groups based on the fact that benzene and hexafluo
37 with water in the unfolded protein, and that polar group burial makes a substantial contribution to p
38 ials of mean force (PMFs) between amino acid polar groups, calculated from explicit solvent free ener
41 ency to bind organic species possessing some polar groups decorating largely hydrophobic scaffolds.
45 lipid-facing interface, whereas charged and polar groups display the highest partitioning energy.
46 omycin, which only differ by their ring-I 6'-polar group, drive subunit rotation in opposite directio
48 ly small structural perturbation by a single polar group (F, CN, NO(2), NH(2)) results in isomorphous
49 n a product with a strong interaction of the polar group for the growing polymer chain with the metal
51 drogen bonding interactions and shielding of polar groups from and near-complete exposure of hydropho
55 ment systems indicate that proximal nonionic polar groups have pronounced effects on hydrophobic inte
58 ermodynamic penalty arising from burial of a polar group in a hydrophobic pocket that forms part of t
59 ocking suggested its hydrogen bonding with a polar group in a small heterodimer partner homology mode
60 ne group between the piperidine ring and the polar group in the 3alpha-substituent dramatically impro
63 chains of the interaction between water and polar groups in the helix backbone for the following rea
64 ding, and restriction of motional freedom of polar groups in the interface, also reflect the differen
65 ct requirement for both cationic and anionic polar groups in the ligand, whereas the presence of a li
67 the surface involves hydrogen bonds between polar groups in the peptide with silanol and siloxide gr
68 ariants we conclude that: (i) packing of non-polar groups in the protein interior is favorable and is
69 eplacing the 3beta-hydroxy group with larger polar groups in the same configuration enhances inhibito
71 en bonding and van der Waals interactions of polar groups in the tightly packed interior of folded pr
73 mly bind to TMD layers or graphene to expose polar groups in water, facilitating the effective exfoli
74 for the stabilization, between the sugar and polar groups in, for example, proteins and phospholipids
75 rophobic effect, and solvation of accessible polar groups) in modulating the stability of DNA structu
77 modified ligands, including the ligands with polar groups incorporated in the N-alkyl substituent (3e
78 and lacking any possibility for ligation or polar group interactions with the surrounding protein, t
80 polar interaction between water and peptide polar groups is entirely enthalpic, as shown by amide tr
81 on between the protein backbone and osmolyte polar groups is more favorable than the corresponding in
82 gh the antibiotic contains a large number of polar groups, its interaction with these macromolecules
83 ement of two OH groups in curcumin with less polar groups like methoxy increases its anti-proliferati
85 potency and hERG inhibition increased, while polar groups lowered potency, without significantly impa
86 group identity than is size, with charged or polar groups most often occupying the same face, whereas
87 c group (mu1-N434F, mu1-N434W, mu1-N434Y), a polar group (mu1-N434C), or a negative charge (mu1-N434D
89 ose from the crystal structures, because the polar groups near the redox site are the main determinan
90 chment, costs for partial desolvation of the polar group next to the protein-solvent interface are di
92 d moiety at the C-terminus was replaced by a polar group of similar size or by a hydrophobic group of
94 o, irradiation may change the orientation of polar groups of gelatin at the film surface and crosslin
96 ly compared with the ionization state of the polar groups of molecules residing in the bulk environme
97 that DMSO molecules do not interact with the polar groups of the lipid headgroup, but exhibit a prefe
100 is a consequence of the deletion causing the polar group on the arginine at the trpA23 site to be pul
101 effect of the reorganization of the protein polar groups on charge-charge interaction and the corres
102 larized MC is sensitive to interactions with polar groups on solvents and G-actin; the average absorp
103 stigated the effect of incorporating various polar groups on the ether function on the inhibition pot
104 hore and the transfer of a proton to Asp-85, polar groups on the protein are able to interact more st
105 analogues of our lead series that contained polar groups on the right-hand side of the thiazolone.
109 f the hydrogel, which mimic the phospholipid polar groups present on the surface of many cell membran
111 bonding model of water, it is proposed that polar groups promote the formation of the low density ic
113 s terminated in nonpolar n-alkyl groups, and polar groups selected from common polar organic groups,
114 e C-terminal helix are replaced with neutral polar groups (Ser), the unexpected temperature dependenc
115 egative enthalpy of hydration of the exposed polar groups should decrease the helix-stabilizing entha
118 nvolves the location of an oxygen-containing polar group such as a hydroxyl or carbonyl separated by
119 In addition, urea-ether inhibitors having a polar group such as diethylene glycol or morpholine sign
123 lged beta-strands, strained loops and buried polar groups--that arise in proteins from evolutionary s
124 chemical structure, and it is possible for a polar group to locate both at shallow and deep locations
125 n, in such cases, be obtained by attaching a polar group to the leaving fragment and designing an act
126 vation costs associated with the addition of polar groups to an inhibitor must be overcome by stronge
128 emperature the enthalpic contribution of non-polar groups to the stabilization of the alpha-helix is
129 nzylidine cyclohexanone derivatives with non-polar groups, to see if they possess increased anti-canc
130 ) The destabilizing effect of dehydration of polar groups upon burial can be compensated if these bur
134 the question of whether steric occlusion of polar groups via beta-branching is an effective, yet unt
136 iosulfinate which contains a newly generated polar group was also confirmed to be of the GAP chemistr
141 r the development of molecular dirotors with polar groups whose amphidynamic nature will allow for th
142 s largely from short-range interactions with polar groups within the pocket, rather than long-range i
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