Monte Carlo simulations using PELE to identify a protein–protein inhibitor binding site and pose-Reference-Cited by-同舟云学术

Monte Carlo simulations using PELE to identify a protein–protein inhibitor binding site and pose

Published:2020 Issue:12 Volume:10 Page:7058-7064
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Díaz Lucía¹²³^ORCID,Soler Daniel¹²³^ORCID,Tresadern Gary⁴⁵⁶⁷^ORCID,Buyck Christophe⁴⁵⁶⁷^ORCID,Perez-Benito Laura⁴⁵⁶⁷^ORCID,Saen-Oon Suwipa¹²³^ORCID,Guallar Victor⁸³⁹¹⁰³^ORCID,Soliva Robert¹²³^ORCID

Affiliation:

1. Nostrum Biodiscovery

2. Barcelona

3. Spain

4. Computational Chemistry

5. Janssen Research & Development

6. Janssen Pharmaceutica N. V.

7. Belgium

8. Barcelona Supercomputing Center, Join IRB-BSC Program in Computational Biology

9. ICREA

10. E-08010 Barcelona

Abstract

PELE prospectively unveils the binding site and mode of a protein–protein disruptor.

Funder

Ministerio de Ciencia e Innovación

Centre for Industrial Technological Development

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2020/RA/D0RA01127D

Reference49 articles.

1. Next generation antibody drugs: pursuit of the 'high-hanging fruit'

2. Antibodies to watch in 2019

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4. Protein-protein interaction modulators: advances, successes and remaining challenges

5. Potent Small-Molecule Binding to a Dynamic Hot Spot on IL-2

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