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Adrian Roitberg

Showing results (1-10 of 22) with videos related to

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Biophysical Journal|January 9, 2007
Kinetics of internal-loop formation in polypeptide chains: a simulation studyDana Doucet, Adrian Roitberg, Stephen J Hagen
Journal of Chemical Information and Modeling|September 16, 2022
Auto3D: Automatic Generation of the Low-Energy 3D Structures with ANI Neural Network PotentialsZhen Liu, Tetiana Zubatiuk, Adrian Roitberg, et al.
Journal of Chemical Theory and Computation|April 24, 2025
ANI-1xBB: An ANI-Based Reactive Potential for Small Organic MoleculesShuhao Zhang, Roman Zubatyuk, Yinuo Yang, et al.
Chemical Science|June 4, 2025
Guided multi-objective generative AI to enhance structure-based drug designAmit Kadan, Kevin Ryczko, Erika Lloyd, et al.
Proteins|September 19, 2006
Comparison of multiple Amber force fields and development of improved protein backbone parametersViktor Hornak, Robert Abel, Asim Okur, et al.
Journal of Chemical Theory and Computation|December 7, 2023
Accelerated Organic Crystal Structure Prediction with Genetic Algorithms and Machine LearningAmit Kadan, Kevin Ryczko, Andrew Wildman, et al.
Proteins|July 6, 2010
Impact of calcium on N1 influenza neuraminidase dynamics and binding free energyMorgan Lawrenz, Jeff Wereszczynski, Rommie Amaro, et al.
Chemical Science|March 21, 2022
Construction of vicinal 4°/3°-carbons <i>via</i> reductive Cope rearrangementKristin M Sobie, Matthew Albritton, Yinuo Yang, et al.
Organic Letters|May 16, 2022
Diastereoselective Indole-Dearomative Cope Rearrangements by Compounding Minor Driving ForcesSubhadip De, Breanna M Tomiczek, Yinuo Yang, et al.
Langmuir : the ACS Journal of Surfaces and Colloids|September 14, 2012
Conjugated polyelectrolyte dendrimers: aggregation, photophysics, and amplified quenchingFude Feng, Seoung Ho Lee, Sung Won Cho, et al.
Pageof 3

Showing results (1-10 of 22) with videos related to

Sort By:
Pageof 3
Biophysical Journal|January 9, 2007
Kinetics of internal-loop formation in polypeptide chains: a simulation studyDana Doucet, Adrian Roitberg, Stephen J Hagen
Journal of Chemical Information and Modeling|September 16, 2022
Auto3D: Automatic Generation of the Low-Energy 3D Structures with ANI Neural Network PotentialsZhen Liu, Tetiana Zubatiuk, Adrian Roitberg, et al.
Journal of Chemical Theory and Computation|April 24, 2025
ANI-1xBB: An ANI-Based Reactive Potential for Small Organic MoleculesShuhao Zhang, Roman Zubatyuk, Yinuo Yang, et al.
Chemical Science|June 4, 2025
Guided multi-objective generative AI to enhance structure-based drug designAmit Kadan, Kevin Ryczko, Erika Lloyd, et al.
Proteins|September 19, 2006
Comparison of multiple Amber force fields and development of improved protein backbone parametersViktor Hornak, Robert Abel, Asim Okur, et al.
Journal of Chemical Theory and Computation|December 7, 2023
Accelerated Organic Crystal Structure Prediction with Genetic Algorithms and Machine LearningAmit Kadan, Kevin Ryczko, Andrew Wildman, et al.
Proteins|July 6, 2010
Impact of calcium on N1 influenza neuraminidase dynamics and binding free energyMorgan Lawrenz, Jeff Wereszczynski, Rommie Amaro, et al.
Chemical Science|March 21, 2022
Construction of vicinal 4°/3°-carbons <i>via</i> reductive Cope rearrangementKristin M Sobie, Matthew Albritton, Yinuo Yang, et al.
Organic Letters|May 16, 2022
Diastereoselective Indole-Dearomative Cope Rearrangements by Compounding Minor Driving ForcesSubhadip De, Breanna M Tomiczek, Yinuo Yang, et al.
Langmuir : the ACS Journal of Surfaces and Colloids|September 14, 2012
Conjugated polyelectrolyte dendrimers: aggregation, photophysics, and amplified quenchingFude Feng, Seoung Ho Lee, Sung Won Cho, et al.
Pageof 3