Exploring the Binding Pathway of Novel Nonpeptidomimetic Plasmepsin V Inhibitors-Reference-Cited by-同舟云学术

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Exploring the Binding Pathway of Novel Nonpeptidomimetic Plasmepsin V Inhibitors

Published:2023-10-06 Issue:21 Volume:63 Page:6890-6899
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Bobrovs Raitis¹^ORCID,Drunka Laura¹,Kanepe Iveta¹,Jirgensons Aigars¹^ORCID,Caflisch Amedeo²^ORCID,Salvalaglio Matteo³^ORCID,Jaudzems Kristaps¹^ORCID

Affiliation:

1. Latvian Institute of Organic Synthesis, Aizkraukles 21, Riga LV1006, Latvia

2. Department of Biochemistry, University of Zurich, Winterthurerstrasse 190, CH-8057 Zurich, Switzerland

3. Thomas Young Centre and Department of Chemical Engineering, University College London, London WC1E 7JE, United Kingdom

Funder

European Regional Development Fund

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.3c00826

Reference52 articles.

1. De Novo Design of Ligands Using Computational Methods

2. A Real-World Perspective on Molecular Design

3. GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers

4. Escaping free-energy minima

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