Serapian SA - Search Results

1

Molecular mechanisms of chaperone-directed protein folding: Insights from atomistic simulations.

Castelli M, Magni A, Bonollo G, Pavoni S, Frigerio F, Oliveira ASF, Cinquini F, Serapian SA, Colombo G. Castelli M, et al. Among authors: serapian sa. Protein Sci. 2023 Dec 25;33(3):e4880. doi: 10.1002/pro.4880. Online ahead of print. Protein Sci. 2023. PMID: 38145386 Free PMC article.

2

Decrypting Allostery in Membrane-Bound K-Ras4B Using Complementary In Silico Approaches Based on Unbiased Molecular Dynamics Simulations.

Castelli M, Marchetti F, Osuna S, F Oliveira AS, Mulholland AJ, Serapian SA, Colombo G. Castelli M, et al. Among authors: serapian sa. J Am Chem Soc. 2024 Jan 10;146(1):901-919. doi: 10.1021/jacs.3c11396. Epub 2023 Dec 20. J Am Chem Soc. 2024. PMID: 38116743 Free PMC article.

3

Gas Permeation through Mechanically Resistant Self-Standing Membranes of a Neat Amorphous Organic Cage.

Mobili R, La Cognata S, Monteleone M, Longo M, Fuoco A, Serapian SA, Vigani B, Milanese C, Armentano D, Jansen JC, Amendola V. Mobili R, et al. Among authors: serapian sa. Chemistry. 2023 Oct 9;29(56):e202301437. doi: 10.1002/chem.202301437. Epub 2023 Aug 21. Chemistry. 2023. PMID: 37433050

4

NLRP3 monomer functional dynamics: From the effects of allosteric binding to implications for drug design.

Casali E, Serapian SA, Gianquinto E, Castelli M, Bertinaria M, Spyrakis F, Colombo G. Casali E, et al. Among authors: serapian sa. Int J Biol Macromol. 2023 Aug 15;246:125609. doi: 10.1016/j.ijbiomac.2023.125609. Epub 2023 Jul 1. Int J Biol Macromol. 2023. PMID: 37394218 Free article.

5

Conformational Behavior of SARS-Cov-2 Spike Protein Variants: Evolutionary Jumps in Sequence Reverberate in Structural Dynamic Differences.

Triveri A, Casali E, Frasnetti E, Doria F, Frigerio F, Cinquini F, Pavoni S, Moroni E, Marchetti F, Serapian SA, Colombo G. Triveri A, et al. Among authors: serapian sa. J Chem Theory Comput. 2023 Apr 11;19(7):2120-2134. doi: 10.1021/acs.jctc.3c00077. Epub 2023 Mar 16. J Chem Theory Comput. 2023. PMID: 36926878 Free PMC article.

6

Integrating Protein Interaction Surface Prediction with a Fragment-Based Drug Design: Automatic Design of New Leads with Fragments on Energy Surfaces.

Torielli L, Serapian SA, Mussolin L, Moroni E, Colombo G. Torielli L, et al. Among authors: serapian sa. J Chem Inf Model. 2023 Jan 9;63(1):343-353. doi: 10.1021/acs.jcim.2c01408. Epub 2022 Dec 27. J Chem Inf Model. 2023. PMID: 36574607 Free PMC article.

7

Phosphorylation of the Hsp90 Co-Chaperone Hop Changes its Conformational Dynamics and Biological Function.

Castelli M, Bhattacharya K, Abboud E, Serapian SA, Picard D, Colombo G. Castelli M, et al. Among authors: serapian sa. J Mol Biol. 2023 Feb 1;435(3):167931. doi: 10.1016/j.jmb.2022.167931. Epub 2022 Dec 23. J Mol Biol. 2023. PMID: 36572238

8

Computational Epitope Prediction and Design for Antibody Development and Detection.

Capelli R, Serapian SA, Colombo G. Capelli R, et al. Among authors: serapian sa. Methods Mol Biol. 2023;2552:255-266. doi: 10.1007/978-1-0716-2609-2_13. Methods Mol Biol. 2023. PMID: 36346596

9

A Fe²⁺-dependent self-inhibited state influences the druggability of human collagen lysyl hydroxylase (LH/PLOD) enzymes.

Scietti L, Moroni E, Mattoteia D, Fumagalli M, De Marco M, Negro L, Chiapparino A, Serapian SA, De Giorgi F, Faravelli S, Colombo G, Forneris F. Scietti L, et al. Among authors: serapian sa. Front Mol Biosci. 2022 Aug 25;9:876352. doi: 10.3389/fmolb.2022.876352. eCollection 2022. Front Mol Biosci. 2022. PMID: 36090047 Free PMC article.

10

Path to Actinorhodin: Regio- and Stereoselective Ketone Reduction by a Type II Polyketide Ketoreductase Revealed in Atomistic Detail.

Serapian SA, Crosby J, Crump MP, van der Kamp MW. Serapian SA, et al. JACS Au. 2022 Apr 7;2(4):972-984. doi: 10.1021/jacsau.2c00086. eCollection 2022 Apr 25. JACS Au. 2022. PMID: 35557750 Free PMC article.

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