Counteraction ability of TMAO toward different denaturing agents
Biopolymers, EarlyView. (Source: Biopolymers)
Source: Biopolymers - February 7, 2018 Category: Biochemistry Authors: MarilisaVigorita
,
SerenaCozzolino
,
RosarioOliva
,
GiuseppeGraziano
,
PompeaDel Vecchio Source Type: research
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Biopolymers, Ahead of Print. (Source: Biopolymers)
Source: Biopolymers - February 7, 2018 Category: Biochemistry Source Type: research
N ‐methylation in amino acids and peptides: Scope and limitations
Abstract
Active pharmaceutical ingredients (APIs) can be divided into two types, namely chemical and biological entities. Traditionally, the former has been associated with the so‐called small molecules. The revival of peptides in pharmaceutical industry results from their importance in many biological roles. However, low metabolic stability and the lack of oral availability of most peptides is the main drawback for peptide to fulfill that paradigmatic situation. In this regard, efforts are being channeled into addressing this issue by introducing restrictions into the flexible peptide backbone, mainly through N‐methyl...
Source: Biopolymers - February 1, 2018 Category: Biochemistry Authors: Anamika Sharma, Ashish Kumar, Shimaa A. H. Abdel Monaim, Yahya E. Jad, Ayman El ‐Faham, Beatriz G. de la Torre, Fernando Albericio Tags: REVIEW Source Type: research
Tailor ‐made computational protocols for precise characterization of small biological building blocks using QM and MM approaches
Abstract
Computational modeling involving Quantum Mechanics (QM) and Molecular Mechanics (MM) calculations are widely utilized to unveil the atomic‐molecular properties that underpin their inherent characteristic features. The choice over the either of the QM and MM methods or a multiscale composite approach is driven by the target property of interest, and of course, the molecular size. Often, tailor‐made schemes need to be devised to match the specific study purpose. Herein, we provide a perspective of these approaches addressing their effectiveness in terms of the delicate balance between the accuracy and computatio...
Source: Biopolymers - February 1, 2018 Category: Biochemistry Authors: Balasubramanian Chandramouli, Sara Del Galdo, Giordano Mancini, Nicola Tasinato, Vincenzo Barone Tags: REVIEW Source Type: research
Exploring the structure characteristics and major channels of cytochrome P450 2A6, 2A13, and 2E1 with pilocarpine
In this study, molecular dynamics (MD) simulations and adaptive steered molecular dynamics (ASMD) simulations were performed to explore the structure features and channel dynamics of three P450 isoforms 2A6, 2A13, and 2E1 bound with the common inhibitor pilocarpine. The binding free energy results combined with the PMF calculations give a reasonable ranking of binding affinity, which are consistent with the experimental data. Our results uncover how a sequence divergence of different CYP2 enzymes causes individual variations in major channel selections. On the basis of channel bottleneck and energy decomposition analysis, ...
Source: Biopolymers - February 1, 2018 Category: Biochemistry Authors: Jing ‐Rong Fan, Heng Li, Hong‐Xing Zhang, Qing‐Chuan Zheng Tags: ORIGINAL ARTICLE Source Type: research
The effect of interleukin ‐8 truncations on its interactions with glycosaminoglycans
Biopolymers, EarlyView. (Source: Biopolymers)
Source: Biopolymers - January 27, 2018 Category: Biochemistry Authors: KarolineNordsieck
,
LarsBaumann
,
VeraHintze
,
M. TeresaPisabarro
,
MatthiasSchnabelrauch
,
Annette G.Beck ‐Sickinger
,
Sergey A.Samsonov Source Type: research
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Biopolymers, Ahead of Print. (Source: Biopolymers)
Source: Biopolymers - January 27, 2018 Category: Biochemistry Source Type: research
Alterations in local stability and dynamics of A4V SOD1 in the presence of trifluoroethanol
Biopolymers,Volume 109, Issue 3, March 2018. (Source: Biopolymers)
Source: Biopolymers - January 25, 2018 Category: Biochemistry Source Type: research
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Biopolymers, Ahead of Print. (Source: Biopolymers)
Source: Biopolymers - January 25, 2018 Category: Biochemistry Source Type: research
Issue Information
Polypeptoids featuring N‐substituted polyglycine backbones are an emerging class of peptidomimetic polymers. Their physical, chemical and biological properties are strongly dependent on the N‐substituent structures and can be readily tailored via synthesis. Donghui Zhang et al. discuss recent developments in the synthetic methods used to fabricate polypeptoids and evidence why they are an attractive and promising biomimetic platform for macromolecular and supramolecular engineering. (DOI: 10.1002/bip.23070) (Source: Biopolymers)
Source: Biopolymers - January 25, 2018 Category: Biochemistry Tags: ISSUE INFORMATION Source Type: research
Impact of bistrand abasic sites and proximate orientation on DNA global structure and duplex energetics
Biopolymers, EarlyView. (Source: Biopolymers)
Source: Biopolymers - January 11, 2018 Category: Biochemistry Authors: Concei ção A.Minetti
,
Jeffrey Y.Sun
,
Daniel P.Jacobs
,
InkooKang
,
David P.Remeta
,
Kenneth J.Breslauer Source Type: research
