Gregory A. Bakken
According to our database1,
Gregory A. Bakken
authored at least 10 papers
between 1999 and 2023.
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Bibliography
2023
Integrated design environment: A multi-use platform for design idea capture, evaluation, and tracking in medicinal chemistry.
J. Comput. Chem., March, 2023
2022
TorsionNet: A Deep Neural Network to Rapidly Predict Small-Molecule Torsional Energy Profiles with the Accuracy of Quantum Mechanics.
J. Chem. Inf. Model., 2022
2019
Comprehensive Assessment of Torsional Strain in Crystal Structures of Small Molecules and Protein-Ligand Complexes using ab Initio Calculations.
J. Chem. Inf. Model., 2019
2013
Fast and accurate generation of <i>ab initio</i> quality atomic charges using nonparametric statistical regression.
J. Comput. Chem., 2013
2012
Shaping a Screening File for Maximal Lead Discovery Efficiency and Effectiveness: Elimination of Molecular Redundancy.
J. Chem. Inf. Model., 2012
2011
Design of a multi-purpose fragment screening library using molecular complexity and orthogonal diversity metrics.
J. Comput. Aided Mol. Des., 2011
2009
Efficient Exploration of Large Combinatorial Chemistry Spaces by Monomer-Based Similarity Searching.
J. Chem. Inf. Model., 2009
2001
QSARs for 6-Azasteroids as Inhibitors of Human Type 1 5-Reductase: Prediction of Binding Affinity and Selectivity Relative to 3-BHSD.
J. Chem. Inf. Comput. Sci., 2001
1999
J. Chem. Inf. Comput. Sci., 1999
J. Chem. Inf. Comput. Sci., 1999