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The Journal of Physical Chemistry. B
|
July 23, 2024
PepBinding: A Workflow for Predicting Peptide Binding Structures by Combining Peptide Docking and Peptide Gaussian Accelerated Molecular Dynamics Simulations
Jinan Wang, Kushal Koirala, Hung N Do, et al.
Journal of Chemical Theory and Computation
|
March 29, 2023
Predicting Biomolecular Binding Kinetics: A Review
Jinan Wang, Hung N Do, Kushal Koirala, et al.
Methods in Molecular Biology (Clifton, N.J.)
|
September 7, 2023
Accelerating Molecular Dynamics Simulations for Drug Discovery
Kushal Koirala, Keya Joshi, Victor Adediwura, et al.
Expert Opinion on Drug Discovery
|
May 9, 2024
Understanding the impact of binding free energy and kinetics calculations in modern drug discovery
Victor A Adediwura, Kushal Koirala, Hung N Do, et al.
Arxiv
|
September 5, 2025
Improving Biomedical Knowledge Graph Quality: A Community Approach
Katherina G Cortes, Shilpa Sundar, Sarah Gehrke, et al.
Biorxiv : the Preprint Server for Biology
|
October 28, 2024
Mechanistic Studies of Small Molecule Ligands Selective to RNA Single G Bulges
Shalakha Hegde, Sana Akhter, Zhichao Tang, et al.
Nucleic Acids Research
|
June 25, 2025
Mechanistic studies of small molecule ligands selective to RNA single G bulges
Shalakha Hegde, Sana Akhter, Zhichao Tang, et al.
Nucleic Acids Research
|
December 12, 2025
Medicines, Diseases, Indications, and Contraindications (MeDIC): a foundational resource to support drug repurposing
Marcello DeLuca, Nico Matentzoglu, Elliott Sharp, et al.
Proteins
|
October 20, 2025
Modeling Protein-Protein and Protein-Ligand Interactions by the ClusPro Team in CASP16
Ryota Ashizawa, Sergei Kotelnikov, Omeir Khan, et al.
Journal of Chemical Information and Modeling
|
January 21, 2026
CACHE Challenge #3: Targeting the Nsp3 Macrodomain of SARS-CoV-2
Oleksandra Herasymenko, Madhushika Silva, Galen J Correy, et al.
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Search research articles
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Showing results (1-10 of 10) with videos related to
Sort By:
Page
of 1
The Journal of Physical Chemistry. B
|
July 23, 2024
PepBinding: A Workflow for Predicting Peptide Binding Structures by Combining Peptide Docking and Peptide Gaussian Accelerated Molecular Dynamics Simulations
Jinan Wang, Kushal Koirala, Hung N Do, et al.
Journal of Chemical Theory and Computation
|
March 29, 2023
Predicting Biomolecular Binding Kinetics: A Review
Jinan Wang, Hung N Do, Kushal Koirala, et al.
Methods in Molecular Biology (Clifton, N.J.)
|
September 7, 2023
Accelerating Molecular Dynamics Simulations for Drug Discovery
Kushal Koirala, Keya Joshi, Victor Adediwura, et al.
Expert Opinion on Drug Discovery
|
May 9, 2024
Understanding the impact of binding free energy and kinetics calculations in modern drug discovery
Victor A Adediwura, Kushal Koirala, Hung N Do, et al.
Arxiv
|
September 5, 2025
Improving Biomedical Knowledge Graph Quality: A Community Approach
Katherina G Cortes, Shilpa Sundar, Sarah Gehrke, et al.
Biorxiv : the Preprint Server for Biology
|
October 28, 2024
Mechanistic Studies of Small Molecule Ligands Selective to RNA Single G Bulges
Shalakha Hegde, Sana Akhter, Zhichao Tang, et al.
Nucleic Acids Research
|
June 25, 2025
Mechanistic studies of small molecule ligands selective to RNA single G bulges
Shalakha Hegde, Sana Akhter, Zhichao Tang, et al.
Nucleic Acids Research
|
December 12, 2025
Medicines, Diseases, Indications, and Contraindications (MeDIC): a foundational resource to support drug repurposing
Marcello DeLuca, Nico Matentzoglu, Elliott Sharp, et al.
Proteins
|
October 20, 2025
Modeling Protein-Protein and Protein-Ligand Interactions by the ClusPro Team in CASP16
Ryota Ashizawa, Sergei Kotelnikov, Omeir Khan, et al.
Journal of Chemical Information and Modeling
|
January 21, 2026
CACHE Challenge #3: Targeting the Nsp3 Macrodomain of SARS-CoV-2
Oleksandra Herasymenko, Madhushika Silva, Galen J Correy, et al.
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of 1