"Novel Physics-Based Ensemble Modeling Approach That Utilizes 3D Molecular ..."

Richard S. Hong et al. (2021)

> Home

Details and statistics

DOI: 10.1021/ACS.JCIM.0C01410

access: closed

type: Journal Article

metadata version: 2021-04-07

- view
  - electronic edition via DOI
  - unpaywalled version
  authority control:
- export record
  dblp key:
  - journals/jcisd/HongMSBBMPSLWMJ21
- ask others
- share record
  persistent URL:
  - https://dblp.org/rec/journals/jcisd/HongMSBBMPSLWMJ21
Richard S. Hong, Alessandra Mattei, Ahmad Y. Sheikh, Rajni Miglani Bhardwaj, Michael A. Bellucci, Keith F. McDaniel, M. Olivia Pierce, Guangxu Sun, Sizhu Li, Lingle Wang, Sayan Mondal, Jianguo Ji, Thomas B. Borchardt:
Novel Physics-Based Ensemble Modeling Approach That Utilizes 3D Molecular Conformation and Packing to Access Aqueous Thermodynamic Solubility: A Case Study of Orally Available Bromodomain and Extraterminal Domain Inhibitor Lead Optimization Series. J. Chem. Inf. Model. 61(3): 1412-1426 (2021)

manage site settings

To protect your privacy, all features that rely on external API calls from your browser are turned off by default. You need to opt-in for them to become active. All settings here will be stored as cookies with your web browser. For more information see our F.A.Q.