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jainlab.org

UCSF Jain Laboratory

Research in the Jain Lab focuses on computational chemistry and computational biology. The primary research areas are in structure-based drug discovery, rational approaches for predictive pharmacology, and applications involved in cancer. We are part of the UCSF Helen Diller Family Comprehensive Cancer Center. Data and software relating to our published research can be found here. Researchers at academic and non-profit institutions are encouraged to download and make use of our software.

http://www.jainlab.org/

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Research in the Jain Lab focuses on computational chemistry and computational biology. The primary research areas are in structure-based drug discovery, rational approaches for predictive pharmacology, and applications involved in cancer. We are part of the UCSF Helen Diller Family Comprehensive Cancer Center. Data and software relating to our published research can be found here. Researchers at academic and non-profit institutions are encouraged to download and make use of our software.
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UCSF Jain Laboratory | jainlab.org Reviews

https://jainlab.org

Research in the Jain Lab focuses on computational chemistry and computational biology. The primary research areas are in structure-based drug discovery, rational approaches for predictive pharmacology, and applications involved in cancer. We are part of the UCSF Helen Diller Family Comprehensive Cancer Center. Data and software relating to our published research can be found here. Researchers at academic and non-profit institutions are encouraged to download and make use of our software.

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jainlab.org jainlab.org
1

UCSF Jain Laboratory

http://www.jainlab.org/people.html

Ajay N. Jain, PhD. Professor, UCSF, Department of Bioengineering and Therapeutic Sciences. Member, UCSF Helen Diller Family Comprehensive Cancer Center, Program in Quantitative Biology ( iPQB. Hundreds of collaborating laboratories make use of the Jain lab's computational methods for modeling the shapes of drug molecules and predicting their biological effects, including a number of laboratories actively involved in cancer drug discovery. Ann E Cleves (Jain), PhD, Senior Staff Scientist. Jane Fridlyand, ...

2

UCSF Jain Laboratory

http://www.jainlab.org/publications.html

The image above is from Cleves and Jain (2006). It is a two-way hierarchical clustering of drugs and targets based on molecular similarity. Cleves, A. E. and Jain, A. N. 2016) Extrapolative prediction using physically-based QSAR. Journal of Computer-Aided Molecular Design. Cleves, A. E. and Jain, A. N. 2015) Knowledge-Guided Docking: Accurate Prospective Prediction of Bound Configurations of Novel Ligands using Surflex-Dock. Journal of Computer-Aided Molecular Design. Vol 19, pp. 160-171). 2012) Surflex-...

3

UCSF Jain Laboratory

http://www.jainlab.org/about.html

The image above is from Jain (2000), which introduced a generalized method for computing molecular similarity. It depicts the differences in molecular surfaces of two molecules from observer points in space. Advances in Molecular Docking and Ligand-Based Modeling. Rational and Predictive Pharmacology.

4

UCSF Jain Laboratory

http://www.jainlab.org/downloads.html

The Jain Lab provides downloadable data sets and software in a number of areas. Following are links. Our Surflex software packages are available to academic researchers for non-commercial purposes here. Commercial users may inquire about licensing terms via email request. Please note that all requests for Surflex may some time for a response. We process requests in batch, typically quarterly (March, June, September, and December). Cleves/Jain JCAMD 2015 PINC Cross-Docking Data. JMedChem 2003 Test Data.

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People | Department of Bioengineering and Therapeutic Sciences | UCSF

http://bts.ucsf.edu/people

University of California, San Francisco. University of California, San Francisco. Department of Bioengineering and Therapeutic Sciences. Computational Biology and Systems Pharmacology. Drug Development and Regulatory Sciences. Adam Abate, PhD. Department of Bioengineering and Therapeutic Sciences. Ahituv Nadav 0.jpg. Nadav Ahituv, PhD. Department of Bioengineering and Therapeutic Sciences. Image credit: Elisabeth Fall. Patricia Babbitt, PhD. Department of Bioengineering and Therapeutic Sciences. James Fr...

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UCSF Jain Laboratory

Research in the Jain Lab focuses on computational chemistry and computational biology. The primary research areas are in structure-based drug discovery, rational approaches for predictive pharmacology, and applications involved in cancer. We are part of the UCSF Helen Diller Family Comprehensive Cancer Center. Data and software relating to our published research can be found here. Researchers at academic and non-profit institutions are encouraged to download and make use of our software.

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