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Journal of Computer-Aided Molecular Design
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September 28, 2013
Lead optimization mapper: automating free energy calculations for lead optimization
Shuai Liu, Yujie Wu, Teng Lin, et al.
Acta Crystallographica. Section D, Structural Biology
|
January 5, 2023
Molecular-dynamics simulation methods for macromolecular crystallography
David C Wych, Phillip C Aoto, Lily Vu, et al.
Journal of Chemical Information and Modeling
|
August 14, 2023
Building Block-Based Binding Predictions for DNA-Encoded Libraries
Chris Zhang, Mary Pitman, Anjali Dixit, et al.
Journal of Computer-Aided Molecular Design
|
November 7, 2019
Comparison of affinity ranking using AutoDock-GPU and MM-GBSA scores for BACE-1 inhibitors in the D3R Grand Challenge 4
Léa El Khoury, Diogo Santos-Martins, Sukanya Sasmal, et al.
Journal of Computer-Aided Molecular Design
|
March 6, 2014
Blind prediction of HIV integrase binding from the SAMPL4 challenge
David L Mobley, Shuai Liu, Nathan M Lim, et al.
Bioorganic & Medicinal Chemistry
|
October 29, 2010
Synthesis and structure-activity studies of benzyl ester meperidine and normeperidine derivatives as selective serotonin transporter ligands
Xiaobo Gu, Sari Izenwasser, Dean Wade, et al.
The Journal of Physical Chemistry. B
|
February 20, 2025
IMERGE-FEP: Improving Relative Free Energy Calculation Convergence with Chemical Intermediates
Linde Schoenmaker, Daan A Jiskoot, Jenke Scheen, et al.
Nature Methods
|
February 5, 2020
An optimized chemical-genetic method for cell-specific metabolic labeling of RNA
Sarah Nainar, Bonnie J Cuthbert, Nathan M Lim, et al.
The Journal of Membrane Biology
|
March 19, 2018
Refining Protein Penetration into the Lipid Bilayer Using Fluorescence Quenching and Molecular Dynamics Simulations: The Case of Diphtheria Toxin Translocation Domain
Alexander Kyrychenko, Nathan M Lim, Victor Vasquez-Montes, et al.
The Journal of Physical Chemistry. B
|
August 1, 2024
Benchmarking Quantum Mechanical Levels of Theory for Valence Parametrization in Force Fields
Pavan Kumar Behara, Hyesu Jang, Joshua T Horton, et al.
Page
of 16
Search research articles
Search
Showing results (121-130 of 153) with videos related to
Sort By:
Page
of 16
Journal of Computer-Aided Molecular Design
|
September 28, 2013
Lead optimization mapper: automating free energy calculations for lead optimization
Shuai Liu, Yujie Wu, Teng Lin, et al.
Acta Crystallographica. Section D, Structural Biology
|
January 5, 2023
Molecular-dynamics simulation methods for macromolecular crystallography
David C Wych, Phillip C Aoto, Lily Vu, et al.
Journal of Chemical Information and Modeling
|
August 14, 2023
Building Block-Based Binding Predictions for DNA-Encoded Libraries
Chris Zhang, Mary Pitman, Anjali Dixit, et al.
Journal of Computer-Aided Molecular Design
|
November 7, 2019
Comparison of affinity ranking using AutoDock-GPU and MM-GBSA scores for BACE-1 inhibitors in the D3R Grand Challenge 4
Léa El Khoury, Diogo Santos-Martins, Sukanya Sasmal, et al.
Journal of Computer-Aided Molecular Design
|
March 6, 2014
Blind prediction of HIV integrase binding from the SAMPL4 challenge
David L Mobley, Shuai Liu, Nathan M Lim, et al.
Bioorganic & Medicinal Chemistry
|
October 29, 2010
Synthesis and structure-activity studies of benzyl ester meperidine and normeperidine derivatives as selective serotonin transporter ligands
Xiaobo Gu, Sari Izenwasser, Dean Wade, et al.
The Journal of Physical Chemistry. B
|
February 20, 2025
IMERGE-FEP: Improving Relative Free Energy Calculation Convergence with Chemical Intermediates
Linde Schoenmaker, Daan A Jiskoot, Jenke Scheen, et al.
Nature Methods
|
February 5, 2020
An optimized chemical-genetic method for cell-specific metabolic labeling of RNA
Sarah Nainar, Bonnie J Cuthbert, Nathan M Lim, et al.
The Journal of Membrane Biology
|
March 19, 2018
Refining Protein Penetration into the Lipid Bilayer Using Fluorescence Quenching and Molecular Dynamics Simulations: The Case of Diphtheria Toxin Translocation Domain
Alexander Kyrychenko, Nathan M Lim, Victor Vasquez-Montes, et al.
The Journal of Physical Chemistry. B
|
August 1, 2024
Benchmarking Quantum Mechanical Levels of Theory for Valence Parametrization in Force Fields
Pavan Kumar Behara, Hyesu Jang, Joshua T Horton, et al.
Page
of 16