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Jobs — Chodera lab // MSKCC
http://www.choderalab.org/jobs
Chodera lab / MSKCC. Chodera lab / MSKCC. Chodera lab / MSKCC. Changing drug discovery one ratio of partition functions at a time. Chodera lab / MSKCC. We are always looking for talented individuals to work with us. Chodera lab seeking awesome tech to help advance drug discovery science with robots and Python! Are you someone with a life/physical sciences degree eager to help design new therapeutics for cancer and other diseases using robots and cutting-edge computing technology? Then come join us! Learn...
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Resources — Chodera lab // MSKCC
http://www.choderalab.org/resources
Chodera lab / MSKCC. Chodera lab / MSKCC. Chodera lab / MSKCC. Changing drug discovery one ratio of partition functions at a time. Is a clean, professional-looking template that's easy to set up. It is prized by small and mid-sized businesses for its numerous customization options and professional layouts. Chodera lab / MSKCC. Our laboratory is equipped with a variety of computational and experimental resources for the quantitative study of protein-ligand association. 2x Intel Xeon E5-2665 2.4GHz. Liquid...
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Ensembler: Enabling high-throughput molecular simulations at the superfamily scale — Chodera lab // MSKCC
http://www.choderalab.org/publications/2015/5/19/l1wso8cubio6hq0wua9lcmggmdqdrw
Chodera lab / MSKCC. Chodera lab / MSKCC. Chodera lab / MSKCC. Changing drug discovery one ratio of partition functions at a time. Chodera lab / MSKCC. June 23, 2016. Ensembler: Enabling high-throughput molecular simulations at the superfamily scale. June 23, 2016. Daniel L. Parton, Patrick B. Grinaway, Sonya M. Hanson, Kyle A. Beauchamp, and John D. Chodera. PLoS Comput. Biol. 12. E1004728, 2016. [ DOI. June 23, 2016. An open library of human kinase .
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Markov state models of biomolecular conformational dynamics — Chodera lab // MSKCC
http://www.choderalab.org/publications/2014/4/26/markov-state-models-of-biomolecular-conformational-dynamics
Chodera lab / MSKCC. Chodera lab / MSKCC. Chodera lab / MSKCC. Changing drug discovery one ratio of partition functions at a time. Chodera lab / MSKCC. April 26, 2014. Markov state models of biomolecular conformational dynamics. April 26, 2014. John D. Chodera. Curr Opin. Struct. Biol., 25. 135-144, 2014. [ DOI. A review of the exciting developments in the stochastic modeling of biomolecular dynamics over the last few years. April 26, 2014. Towards Automated Benchmarking of .
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Spectral rate theory for two-state kinetics — Chodera lab // MSKCC
http://www.choderalab.org/publications/2014/4/26/spectral-rate-theory-for-two-state-kinetics
Chodera lab / MSKCC. Chodera lab / MSKCC. Chodera lab / MSKCC. Changing drug discovery one ratio of partition functions at a time. Chodera lab / MSKCC. February 24, 2014. Spectral rate theory for two-state kinetics. February 24, 2014. Jan-Hendrik Prinz, John D. Chodera. Phys Rev. X 4:011020, 2014. [ DOI. February 24, 2014. Markov state models of biomolecular . Time step rescaling recovers .
choderalab.org
Time step rescaling recovers continuous-time dynamical properties for discrete-time Langevin integration of nonequilibrium systems — Chodera lab // MSKCC
http://www.choderalab.org/publications/2014/4/26/time-step-rescaling-recovers-continuous-time-dynamical-properties-for-discrete-time-langevin-integration-of-nonequilibrium-systems
Chodera lab / MSKCC. Chodera lab / MSKCC. Chodera lab / MSKCC. Changing drug discovery one ratio of partition functions at a time. Chodera lab / MSKCC. February 20, 2014. Time step rescaling recovers continuous-time dynamical properties for discrete-time Langevin integration of nonequilibrium systems. February 20, 2014. David A. Sivak, John D. Chodera. And Gavin E. Crooks. J Phys. Chem. B, 118. 6466-6474, 2014. William C. Swope Festschrift issue. [ DOI. February 20, 2014. Identifying ligand binding sites .
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News — Chodera lab // MSKCC
http://www.choderalab.org/news
Chodera lab / MSKCC. Chodera lab / MSKCC. Chodera lab / MSKCC. Changing drug discovery one ratio of partition functions at a time. Chodera lab / MSKCC. July 29, 2016. July 29, 2016. We've started a blog! This will be an outlet to discuss ideas for new molecular simulation algorithms, new analyses of existing ones, interesting results, literature we find exciting, or anything we come up with that may be of use to others! Let us know what you think. July 29, 2016. May 17, 2016. May 17, 2016. May 17, 2016.
choderalab.org
Kinase Inhibitor Dorm Room Poster! — Chodera lab // MSKCC
http://www.choderalab.org/news/2015/5/21/kinase-inhibitor-dorm-room-poster
Chodera lab / MSKCC. Chodera lab / MSKCC. Chodera lab / MSKCC. Changing drug discovery one ratio of partition functions at a time. Chodera lab / MSKCC. May 21, 2015. Kinase Inhibitor Dorm Room Poster! May 21, 2015. Postdoc Sonya Hanson and grad student Julie Behr have collected all 27 FDA approved small molecule kinase inhibitors into a poster suitable for your lab wall or undergrad student's dorm room! A bit more official information on the more recently approved molecules can be found here. May 21, 2015.
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Code — Chodera lab // MSKCC
http://www.choderalab.org/code
Chodera lab / MSKCC. Chodera lab / MSKCC. Chodera lab / MSKCC. Changing drug discovery one ratio of partition functions at a time. Chodera lab / MSKCC. See the Chodera lab. We contribute applications and tools to the Omnia suite. Of molecular modeling and simulation tools based on the OpenMM. GPU-accelerated molecular modeling package. An open, extensible platform for GPU-accelerated alchemical binding free energy calculations. Using the OpenMM toolkit.
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