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Wendy D. Cornell | doi.page

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Wendy D. Cornell

IBM Research - Thomas J. Watson Research Center(US)

Publications by Year

Research Areas

Computational Drug Discovery Methods, Protein Structure and Dynamics, Microbial Natural Products and Biosynthesis, Machine Learning in Materials Science, Advanced Chemical Physics Studies

Most-Cited Works

→ A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules(1995)13,076 cited
→ A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model(1993)7,965 cited
→ Application of RESP charges to calculate conformational energies, hydrogen bond energies, and free energies of solvation(1993)1,405 cited
→ Application of the multimolecule and multiconformational RESP methodology to biopolymers: Charge derivation for DNA, RNA, and proteins(1995)1,026 cited
→ A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules J. Am. Chem. Soc. 1995, 117, 5179−5197(1996)540 cited
→ Comparison of Topological, Shape, and Docking Methods in Virtual Screening(2007)415 cited

→ Deep generative molecular design reshapes drug discovery(2022)

260 cited

→ The development/application of a ‘minimalist’ organic/biochemical molecular mechanic force field using a combination of ab initio calculations and experimental data(1997)241 cited

→ A quantum Mechanical Investigation of the Conformational Energetics of the Alanine and Glycine Dipeptides in the Gas Phase and in Aqueous Solution(1994)152 cited

→ Drug-like Density: A Method of Quantifying the “Bindability” of a Protein Target Based on a Very Large Set of Pockets and Drug-like Ligands from the Protein Data Bank(2010)129 cited