David S. Goodsell
- AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility
2009/04/27 by Garrett M. Morris, Ruth Huey, William Lindstrom +4 · 83 citations
Computer Science · Immunology and Microbiology · Medicine · #Computational Drug Discovery Methods #HIV Research and Treatment #HIV/AIDS drug development and treatment
- Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function
1998/11/15 by Garrett M. Morris, David S. Goodsell, Robert S. Halliday +4 · 29 citations
Computer Science · Biochemistry, Genetics and Molecular Biology · Chemistry · #Computational Drug Discovery Methods #Protein Structure and Dynamics #Click Chemistry and Applications
- RCSB Protein Data Bank (RCSB.org): delivery of experimentally-determined PDB structures alongside one million computed structure models of proteins from artificial intelligence/machine learning
2022/11/24 by S.K. Burley, Charmi Bhikadiya, Chunxiao Bi +38 · 22 citations
Biochemistry, Genetics and Molecular Biology · Materials Science · #Enzyme Structure and Function #Genetics, Bioinformatics, and Biomedical Research #Protein Structure and Dynamics
- RCSB Protein Data Bank: powerful new tools for exploring 3D structures of biological macromolecules for basic and applied research and education in fundamental biology, biomedicine, biotechnology, bioengineering and energy sciences
2020/11/17 by S.K. Burley, Charmi Bhikadiya, Chunxiao Bi +35 · 14 citations
Materials Science · Biochemistry, Genetics and Molecular Biology · #Enzyme Structure and Function #Protein Structure and Dynamics #Genetics, Bioinformatics, and Biomedical Research
- Building Structural Models of a Whole Mycoplasma Cell
2021/11/10 by Martina Maritan, Ludovic Autin, Jonathan Karr +4 · 2 voices · 7 citations
Agricultural and Biological Sciences · Environmental Science · Immunology and Microbiology · #Bacteriophages and microbial interactions #Microbial infections and disease research #Plant Virus Research Studies
- A semiempirical free energy force field with charge‐based desolvation
2007/02/01 by Ruth Huey, Garrett M. Morris, Arthur J. Olson +1 · 2 citations
Biochemistry, Genetics and Molecular Biology · Computer Science · Materials Science · #Computational Drug Discovery Methods #Enzyme Structure and Function #Protein Structure and Dynamics
- Folding paper models of biostructures for outreach and education
2024/02/01 by David S. Goodsell, Shuchismita Dutta, Brian P. Hudson +3 · 1 voice · 1 citation
Biochemistry, Genetics and Molecular Biology · Environmental Science · #Bacteriophages and microbial interactions #Genetics, Bioinformatics, and Biomedical Research #RNA and protein synthesis mechanisms