Integrating Protein Interaction Surface Prediction with a Fragment-Based Drug Design: Automatic Design of New Leads with Fragments on Energy Surfaces-Reference-Cited by-同舟云学术

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

Published:2022-12-27 Issue:1 Volume:63 Page:343-353
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Torielli Luca¹^ORCID,Serapian Stefano A.¹^ORCID,Mussolin Lara²³,Moroni Elisabetta⁴,Colombo Giorgio¹^ORCID

Affiliation:

1. Department of Chemistry, University of Pavia, Via Taramelli 12, Pavia27100, Italy

2. Department of Woman’s and Child’s Health, Pediatric Hematology, Oncology and Stem Cell Transplant Center, University of Padua, Via Giustiniani, 3, Padua35128, Italy

3. Istituto di Ricerca Pediatrica Città della Speranza, Corso Stati Uniti, 4 F, Padova35127, Italy

4. SCITEC-CNR, via Mario Bianco 9, Milano20131, Italy

Funder

Associazione Italiana per la Ricerca sul Cancro

Fondazione Istituto di Ricerca Pediatrica Citt? della Speranza

Associazione Italiana Ricerca sul Cancro

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.2c01408

Reference67 articles.

1. Evolution of protein interactions: From interactomes to interfaces

2. Prediction and redesign of protein–protein interactions

3. Direct coevolutionary couplings reflect biophysical residue interactions in proteins

4. Predicting Protein–Protein Interactions from the Molecular to the Proteome Level

5. Modulation of Protein–Protein Interactions for the Development of Novel Therapeutics

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