Optimization and Evaluation of Site-Identification by Ligand Competitive Saturation (SILCS) as a Tool for Target-Based Ligand Optimization-Reference-Cited by-同舟云学术

Optimization and Evaluation of Site-Identification by Ligand Competitive Saturation (SILCS) as a Tool for Target-Based Ligand Optimization

Published:2019-04-29 Issue:6 Volume:59 Page:3018-3035
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Ustach Vincent D.¹^ORCID,Lakkaraju Sirish Kaushik²^ORCID,Jo Sunhwan²^ORCID,Yu Wenbo¹,Jiang Wenjuan¹^ORCID,MacKerell Alexander D.¹²^ORCID

Affiliation:

1. Computer Aided Drug Design Center, Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, 20 Penn Street, Baltimore, Maryland 21201, United States

2. SilcsBio, LLC, 8 Market Place, Suite 300, Baltimore, Maryland 21202, United States

Funder

Samuel Waxman Cancer Research Foundation

University of Maryland

Center for Scientific Review

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.9b00210

Reference83 articles.

1. Linear Interaction Energy: Method and Applications in Drug Design

2. Recent advances in the development and application of implicit solvent models in biomolecule simulations

3. Free Energy Methods in Drug Design: Prospects of “Alchemical Perturbation” in Medicinal Chemistry

4. Guidelines for the analysis of free energy calculations

5. Druggability Assessment of Allosteric Proteins by Dynamics Simulations in the Presence of Probe Molecules

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