Call for Papers

Article List

Editorial [Hot Topic: In Silico Lead Identification and Optimization for Drug Discovery (Executive Guest Editor: Shuxing Zhang)]
[ Vol. 18 , Issue. 9 ]
Author(s): Shuxing Zhang
Pages: 1171-1172 (2)
Computational Insights for the Discovery of Non-ATP Competitive Inhibitors of MAP Kinases
[ Vol. 18 , Issue. 9 ]
Author(s): Michael J. Schnieders, Tamer S. Kaoud, Chunli Yan, Kevin N. Dalby and Pengyu Ren
Pages: 1173-1185 (13)
Cis-enone Resorcylic Acid Lactones (RALs) as Irreversible Protein Kinase Inhibitors
[ Vol. 18 , Issue. 9 ]
Author(s): Linyi Wei, Jiuhong Wu, Guanqun Li and Ning Shi
Pages: 1186-1198 (13)
Identification of HIV Inhibitors Guided by Free Energy Perturbation Calculations
[ Vol. 18 , Issue. 9 ]
Author(s): Orlando Acevedo, Zandrea Ambrose, Patrick T. Flaherty, Hadega Aamer, Prashi Jain and Somisetti V. Sambasivarao
Pages: 1199-1216 (18)
From Laptop to Benchtop to Bedside: Structure-based Drug Design on Protein Targets
[ Vol. 18 , Issue. 9 ]
Author(s): Lu Chen, John K. Morrow, Hoang T. Tran, Sharangdhar S. Phatak, Lei Du-Cuny and Shuxing Zhang
Pages: 1217-1239 (23)
Computational Drug Design Targeting Protein-Protein Interactions
[ Vol. 18 , Issue. 9 ]
Author(s): Rachelle J. Bienstock
Pages: 1240-1254 (15)
Computational Prediction of Protein Hot Spot Residues
[ Vol. 18 , Issue. 9 ]
Author(s): John Kenneth Morrow and Shuxing Zhang
Pages: 1255-1265 (11)
The Challenges Involved in Modeling Toxicity Data In Silico: A Review
[ Vol. 18 , Issue. 9 ]
Author(s): M. Paul Gleeson, Sandeep Modi, Andreas Bender, Richard L. Marchese Robinson, Johannes Kirchmair, Malinee Promkatkaew, Supa Hannongbua and Robert C. Glen
Pages: 1266-1291 (26)
Multi-Parameter Optimization: Identifying High Quality Compounds with a Balance of Properties
[ Vol. 18 , Issue. 9 ]
Author(s): Matthew D. Segall
Pages: 1292-1310 (19)
The Different Ways through Which Specificity Works in Orthosteric and Allosteric Drugs
[ Vol. 18 , Issue. 9 ]
Author(s): Ruth Nussinov and Chung-Jung Tsai
Pages: 1311-1316 (6)