Wendy D. Cornell
Orcid: 0000-0002-7339-0201
According to our database1,
Wendy D. Cornell
authored at least 14 papers
between 1995 and 2022.
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Bibliography
2022
Analysis of Training and Seed Bias in Small Molecules Generated with a Conditional Graph-Based Variational Autoencoder─Insights for Practical AI-Driven Molecule Generation.
J. Chem. Inf. Model., 2022
J. Chem. Inf. Model., 2022
Active Site Sequence Representations of Human Kinases Outperform Full Sequence Representations for Affinity Prediction and Inhibitor Generation: 3D Effects in a 1D Model.
J. Chem. Inf. Model., 2022
Simplified, interpretable graph convolutional neural networks for small molecule activity prediction.
J. Comput. Aided Mol. Des., 2022
In-Pocket 3D Graphs Enhance Ligand-Target Compatibility in Generative Small-Molecule Creation.
CoRR, 2022
2020
Combining Docking Pose Rank and Structure with Deep Learning Improves Protein-Ligand Binding Mode Prediction over a Baseline Docking Approach.
J. Chem. Inf. Model., 2020
2018
2010
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.
J. Chem. Inf. Model., 2010
2009
QSAR Models for Predicting the Similarity in Binding Profiles for Pairs of Protein Kinases and the Variation of Models between Experimental Data Sets.
J. Chem. Inf. Model., 2009
2008
Multiple protein structures and multiple ligands: effects on the apparent goodness of virtual screening results.
J. Comput. Aided Mol. Des., 2008
2007
J. Chem. Inf. Model., 2007
1996
Application of a simple diagonal force field to the simulation of cyclopentane conformational dynamics.
J. Comput. Chem., 1996
1995
Calculation of Molecular Geometries, Relative Conformational Energies, Dipole Moments, and Molecular Electrostatic Potential Fitted Charges of Small Organic Molecules of Biochemical Interest by Density Function Theory.
J. Comput. Chem., 1995
Application of the Multimolecule and Multiconformational RESP Methodology to Biopolymers: Charge Derication for DNA, RNA, and Proteins.
J. Comput. Chem., 1995