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Acta Crystallographica. Section C, Structural Chemistry
|
February 11, 2014
Developing an approach for first-principles catalyst design: application to carbon-capture catalysis
Heather J Kulik, Sergio E Wong, Sarah E Baker, et al.
Journal of Medicinal Chemistry
|
December 17, 2008
Selectively targeting T- and B-cell lymphomas: a benzothiazole antagonist of alpha4beta1 integrin
Richard D Carpenter, Mirela Andrei, Olulanu H Aina, et al.
Current Opinion in Structural Biology
|
March 26, 2023
The confluence of machine learning and multiscale simulations
Harsh Bhatia, Fikret Aydin, Timothy S Carpenter, et al.
Chemical Research in Toxicology
|
March 15, 2006
PhIP carcinogenicity in breast cancer: computational and experimental evidence for competitive interactions with human estrogen receptor
Brian J Bennion, Monique Cosman, Felice C Lightstone, et al.
Journal of Chemical Theory and Computation
|
November 21, 2015
Computational Analysis of a Zn-Bound Tris(imidazolyl) Calix[6]arene Aqua Complex: Toward Incorporating Second-Coordination Sphere Effects into Carbonic Anhydrase Biomimetics
Lucas Koziol, Sebnem G Essiz, Sergio E Wong, et al.
Cell Reports. Medicine
|
October 28, 2022
Deep generative molecular design reshapes drug discovery
Xiangxiang Zeng, Fei Wang, Yuan Luo, et al.
Journal of Medicinal Chemistry
|
September 18, 2020
Assessing the Perturbing Effects of Drugs on Lipid Bilayers Using Gramicidin Channel-Based <i>In Silico</i> and <i>In Vitro</i> Assays
Delin Sun, Thasin A Peyear, W F Drew Bennett, et al.
Journal of Chemical Information and Modeling
|
August 16, 2020
Predicting Small Molecule Transfer Free Energies by Combining Molecular Dynamics Simulations and Deep Learning
W F Drew Bennett, Stewart He, Camille L Bilodeau, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
June 10, 2014
GABAA receptor target of tetramethylenedisulfotetramine
Chunqing Zhao, Sung Hee Hwang, Bruce A Buchholz, et al.
Cancer Research
|
June 10, 2010
Halogenated benzimidazole carboxamides target integrin alpha4beta1 on T-cell and B-cell lymphomas
Richard D Carpenter, Arutselvan Natarajan, Edmond Y Lau, et al.
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of 10
Search research articles
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Showing results (41-50 of 97) with videos related to
Sort By:
Page
of 10
Acta Crystallographica. Section C, Structural Chemistry
|
February 11, 2014
Developing an approach for first-principles catalyst design: application to carbon-capture catalysis
Heather J Kulik, Sergio E Wong, Sarah E Baker, et al.
Journal of Medicinal Chemistry
|
December 17, 2008
Selectively targeting T- and B-cell lymphomas: a benzothiazole antagonist of alpha4beta1 integrin
Richard D Carpenter, Mirela Andrei, Olulanu H Aina, et al.
Current Opinion in Structural Biology
|
March 26, 2023
The confluence of machine learning and multiscale simulations
Harsh Bhatia, Fikret Aydin, Timothy S Carpenter, et al.
Chemical Research in Toxicology
|
March 15, 2006
PhIP carcinogenicity in breast cancer: computational and experimental evidence for competitive interactions with human estrogen receptor
Brian J Bennion, Monique Cosman, Felice C Lightstone, et al.
Journal of Chemical Theory and Computation
|
November 21, 2015
Computational Analysis of a Zn-Bound Tris(imidazolyl) Calix[6]arene Aqua Complex: Toward Incorporating Second-Coordination Sphere Effects into Carbonic Anhydrase Biomimetics
Lucas Koziol, Sebnem G Essiz, Sergio E Wong, et al.
Cell Reports. Medicine
|
October 28, 2022
Deep generative molecular design reshapes drug discovery
Xiangxiang Zeng, Fei Wang, Yuan Luo, et al.
Journal of Medicinal Chemistry
|
September 18, 2020
Assessing the Perturbing Effects of Drugs on Lipid Bilayers Using Gramicidin Channel-Based <i>In Silico</i> and <i>In Vitro</i> Assays
Delin Sun, Thasin A Peyear, W F Drew Bennett, et al.
Journal of Chemical Information and Modeling
|
August 16, 2020
Predicting Small Molecule Transfer Free Energies by Combining Molecular Dynamics Simulations and Deep Learning
W F Drew Bennett, Stewart He, Camille L Bilodeau, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
June 10, 2014
GABAA receptor target of tetramethylenedisulfotetramine
Chunqing Zhao, Sung Hee Hwang, Bruce A Buchholz, et al.
Cancer Research
|
June 10, 2010
Halogenated benzimidazole carboxamides target integrin alpha4beta1 on T-cell and B-cell lymphomas
Richard D Carpenter, Arutselvan Natarajan, Edmond Y Lau, et al.
Page
of 10