Advanced techniques for constrained internal coordinate molecular dynamics. - Jeffrey R. Wagner; Gouthaman S. Balaraman; Michiel J. M. Niesen; Adrien B. Larsen; Abhinandan Jain; Nagarajan Vaidehi (J. Comput. Chem., 2013)

GneimoSim: A modular internal coordinates molecular dynamics simulation package. - Adrien B. Larsen; Jeffrey R. Wagner; Saugat Kandel; Romelia Salomón-Ferrer; Nagarajan Vaidehi; Abhinandan Jain (J. Comput. Chem., 2014)

Protein Structure Refinement of CASP Target Proteins Using GNEIMO Torsional Dynamics Method. - Adrien B. Larsen; Jeffrey R. Wagner; Abhinandan Jain; Nagarajan Vaidehi (J. Chem. Inf. Model., 2014)

Development of Computer Aided Drug Design Algorithms and Application to be APOBEC3 Family of Proteins - Jeffrey R. Wagner (2018)

Determinants of Oligonucleotide Selectivity of APOBEC3B. - Jeffrey R. Wagner; Özlem Demir; Michael A. Carpenter; Hideki Aihara; Daniel A. Harki; Reuben S. Harris; Rommie E. Amaro (J. Chem. Inf. Model., 2019)

Parameterization of General Organic Polymers within the Open Force Field Framework. - Connor M. Davel; Timotej Bernat; Jeffrey R. Wagner; Michael R. Shirts (J. Chem. Inf. Model., 2024)