Identification of potential inhibitors for LLM of Staphylococcus aureus: structure-based pharmacophore modeling, molecular dynamics, and binding free energy studies-Reference-Cited by-同舟云学术

Identification of potential inhibitors for LLM of Staphylococcus aureus: structure-based pharmacophore modeling, molecular dynamics, and binding free energy studies

Published:2021-06-07 Issue: Volume: Page:1-15
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Kumari Reena¹,Dalal Vikram²^ORCID

Affiliation:

1. Department of Mathematics and Statistics, Swami Vivekanand Subharti University, Meerut, India

2. Department of Anesthesiology, Washington University in St. Louis, St. Louis, MO, USA

Funder

NIH

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2021.1936179

Reference70 articles.

1. Optimization of parameters for molecular dynamics simulation using smooth particle-mesh Ewald in GROMACS 4.5

2. Basic local alignment search tool

3. New antibiotics for bad bugs: where are we?

4. Molecular dynamics with coupling to an external bath

5. Structure-Based Identification of Potential Drugs Against FmtA of Staphylococcus aureus: Virtual Screening, Molecular Dynamics, MM-GBSA, and QM/MM

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