| OPLS4: Improving force field accuracy on challenging regimes of chemical space C Lu, C Wu, D Ghoreishi, W Chen, L Wang, W Damm, GA Ross, ... Journal of chemical theory and computation 17 (7), 4291-4300, 2021 | 824 | 2021 |
| AutoQSAR: an automated machine learning tool for best-practice quantitative structure–activity relationship modeling SL Dixon, J Duan, E Smith, CD Von Bargen, W Sherman, MP Repasky Future medicinal chemistry 8 (15), 1825-1839, 2016 | 150 | 2016 |
| Single-handed helical wrapping of single-walled carbon nanotubes by chiral, ionic, semiconducting polymers P Deria, CD Von Bargen, JH Olivier, AS Kumbhar, JG Saven, MJ Therien Journal of the American Chemical Society 135 (43), 16220-16234, 2013 | 79 | 2013 |
| Engineering complementary hydrophobic interactions to control β-hairpin peptide self-assembly, network branching, and hydrogel properties S Sathaye, H Zhang, C Sonmez, JP Schneider, CM MacDermaid, ... Biomacromolecules 15 (11), 3891-3900, 2014 | 56 | 2014 |
| Origins of the helical wrapping of phenyleneethynylene polymers about single-walled carbon nanotubes CD Von Bargen, CM MacDermaid, OS Lee, P Deria, MJ Therien, ... The Journal of Physical Chemistry B 117 (42), 12953-12965, 2013 | 44 | 2013 |
| Automated method for determining hydrocarbon distributions in mobility fuels NJ Begue, JA Cramer, C Von Bargen, KM Myers, KJ Johnson, RE Morris Energy & Fuels 25 (4), 1617-1623, 2011 | 18 | 2011 |
| OPLS4: Improving force field accuracy on challenging regimes of chemical space., 2021, 17 C Lu, C Wu, D Ghoreishi, W Chen, L Wang, W Damm, GA Ross, ... DOI: https://doi. org/10.1021/acs. jctc. 1c00302, 4291-4300, 0 | 11 | |
| Computational design of single-peptide nanocages with nanoparticle templating JA Villegas, NJ Sinha, N Teramoto, CD Von Bargen, DJ Pochan, ... Molecules 27 (4), 1237, 2022 | 8 | 2022 |
| Improving virtual screens with a new pharmacophore perception-scoring tool integrating MD of protein-ligand complexes K Hauser, MO Pierce, D Watson, C Von Bargen, S Dixon, M Repasky ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 255, 2018 | | 2018 |
| Evaluating use of tens to hundreds of active ligands in pharmacophore hypothesis perception E Mack, S Dixon, C Von Bargen, M Repasky ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 253, 2017 | | 2017 |
| Computational modeling and design of protein and polymeric Nano-assemblies CD Von Bargen University of Pennsylvania, 2015 | | 2015 |
| Molecular basis of Xe affinities for water soluble cryptophanes L Gao, C Von Bargen, IJ Dmochowski, JG Saven ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 244, 2012 | | 2012 |
| Understanding the helical wrapping of poly (phenylene-ethynylene) polymers about single-walled carbon nanotubes using molecular simulations CD Von Bargen, CM MacDermaid, CS Murrett, OS Lee, MJ Therien, ... ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 244, 2012 | | 2012 |
| Medicinal Chemistry SL Dixon, J Duan, E Smith, CD Von Bargen, W Sherman, MP Repasky | | |
Jeffery G SavenUniversity of Pennsylvania在 sas.upenn.edu 的电子邮件经过验证
