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Journal of Chemical Information and Modeling

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David A. Case, Hasan Metin Aktulga, Kellon Belfon, David S. Cerutti, G. Andrés Cisneros, Vinícius Wilian D. Cruzeiro, Negin Forouzesh, Timothy J. Giese, Andreas W. Götz, Holger Gohlke, Saeed Izadi, Koushik Kasavajhala, Mehmet Cagri Kaymak, Edward J. King, Tom Kurtzman, Tai‐Sung Lee, Pengfei Li, Jian Liu, Tyler Luchko, Ray Luo, Madushanka Manathunga, Matías Machado, Hai Nguyen, Kurt A. O’Hearn, Alexey V. Onufriev, Feng Pan, Sergio Pantano, Ruxi Qi, Ali Rahnamoun, Ali Risheh, Stephan Schott‐Verdugo, Akhil Shajan, Jason Swails, Junmei Wang, Haixin Wei, Xiongwu Wu, Yongxian Wu, Shi Zhang, Shiji Zhao, Qiang Zhu, Thomas E. Cheatham, Daniel R. Roe, Adrián E. Roitberg, Carlos Simmerling, Darrin M. York, Maria C. Nagan, Kenneth M. Merz
Journal of Chemical Information and Modeling. 20231,972 CitationsOPEN ACCESS
Consensus Scoring Criteria for Improving Enrichment in Virtual Screening
Jinn‐Moon Yang, Yen‐Fu Chen, Tsai-Wei Shen, Bruce S. Kristal, D. Frank Hsu
Journal of Chemical Information and Modeling. 2005244 Citations
Learning to Predict Chemical Reactions
Matthew A. Kayala, Chloé‐Agathe Azencott, Jonathan H. Chen, Pierre Baldi
Journal of Chemical Information and Modeling. 2011211 Citations
The IDP-Specific Force Field <i>ff14IDPSFF</i> Improves the Conformer Sampling of Intrinsically Disordered Proteins
Song Dong, Ray Luo, Haifeng Chen
Journal of Chemical Information and Modeling. 2017208 Citations
RASA: A Rapid Retrosynthesis-Based Scoring Method for the Assessment of Synthetic Accessibility of Drug-like Molecules
Qi Huang, Linli Li, Shengyong Yang
Journal of Chemical Information and Modeling. 201181 Citations

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