Literature DB >> 21328650

Use of metadynamics in the design of isoDGR-based αvβ3 antagonists to fine-tune the conformational ensemble.

Andrea Spitaleri1, Michela Ghitti, Silvia Mari, Luca Alberici, Catia Traversari, Gian-Paolo Rizzardi, Giovanna Musco.   

Abstract

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Year:  2011        PMID： 21328650     DOI： 10.1002/anie.201007091

Source DB:  PubMed          Journal:  Angew Chem Int Ed Engl        ISSN： 1433-7851            Impact factor:   15.336


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  8 in total

Review 1.  Understanding and designing head-to-tail cyclic peptides.

Authors:  Diana P Slough; Sean M McHugh; Yu-Shan Lin
Journal:  Biopolymers       Date:  2018-03-12       Impact factor: 2.505

2.  Designing Well-Structured Cyclic Pentapeptides Based on Sequence-Structure Relationships.

Authors:  Diana P Slough; Sean M McHugh; Ashleigh E Cummings; Peng Dai; Bradley L Pentelute; Joshua A Kritzer; Yu-Shan Lin
Journal:  J Phys Chem B       Date:  2018-03-28       Impact factor: 2.991

Review 3.  Elucidating Solution Structures of Cyclic Peptides Using Molecular Dynamics Simulations.

Authors:  Jovan Damjanovic; Jiayuan Miao; He Huang; Yu-Shan Lin
Journal:  Chem Rev       Date:  2021-01-11       Impact factor: 60.622

4.  Succinimide Formation from an NGR-Containing Cyclic Peptide: Computational Evidence for Catalytic Roles of Phosphate Buffer and the Arginine Side Chain.

Authors:  Ryota Kirikoshi; Noriyoshi Manabe; Ohgi Takahashi
Journal:  Int J Mol Sci       Date:  2017-02-16       Impact factor: 5.923

Review 5.  Bioinformatics and Biosimulations as Toolbox for Peptides and Peptidomimetics Design: Where Are We?

Authors:  Ilda D'Annessa; Francesco Saverio Di Leva; Anna La Teana; Ettore Novellino; Vittorio Limongelli; Daniele Di Marino
Journal:  Front Mol Biosci       Date:  2020-05-05

6.  Well-Tempered Metadynamics Simulations Predict the Structural and Dynamic Properties of a Chiral 24-Atom Macrocycle in Solution.

Authors:  Riccardo Capelli; Alexander J Menke; Hongjun Pan; Benjamin G Janesko; Eric E Simanek; Giovanni M Pavan
Journal:  ACS Omega       Date:  2022-08-08

7.  Development of novel cyclic NGR peptide-daunomycin conjugates with dual targeting property.

Authors:  Andrea Angelo Pierluigi Tripodi; Szilárd Tóth; Kata Nóra Enyedi; Gitta Schlosser; Gergely Szakács; Gábor Mező
Journal:  Beilstein J Org Chem       Date:  2018-04-25       Impact factor: 2.883

8.  In Vivo Tumor Growth Inhibition and Antiangiogenic Effect of Cyclic NGR Peptide-Daunorubicin Conjugates Developed for Targeted Drug Delivery.

Authors:  Andrea Angelo Pierluigi Tripodi; Ivan Ranđelović; Beáta Biri-Kovács; Bálint Szeder; Gábor Mező; József Tóvári
Journal:  Pathol Oncol Res       Date:  2019-12-09       Impact factor: 3.201
  8 in total

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