publication venue for
- Developing Bonded Potentials for a Coarse-Grained Model of Intrinsically Disordered Proteins.. 62:4474-4485. 2022
- Correction to "Interactions between Curcumin Derivatives and Amyloid- Fibrils: Insights from Molecular Dynamics Simulations".. 60:4108-4108. 2020
- Confronting Racism in Chemistry Journals.. 60:3325-3327. 2020
- Update to Our Reader, Reviewer, and Author Communities-April 2020.. 60:2651-2652. 2020
- Interactions between Curcumin Derivatives and Amyloid- Fibrils: Insights from Molecular Dynamics Simulations.. 60:289-305. 2020
- A Multiscale Model for the Self-Assembly of Coat Proteins in Bacteriophage MS2.. 59:3899-3909. 2019
- Chemistry-Wide Association Studies (CWAS): A Novel Framework for Identifying and Interpreting Structure-Activity Relationships.. 58:2203-2213. 2018
- Anion- Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.. 58:2085-2091. 2018
- Free energy predictions of ligand binding to an -helix using steered molecular dynamics and umbrella sampling simulations.. 54:2093-2104. 2014
- Elucidating a key component of cancer metastasis: CXCL12 (SDF-1) binding to CXCR4.. 54:1174-1188. 2014
- Identification of compounds with potential antibacterial activity against Mycobacterium through structure-based drug screening.. 53:1200-1212. 2013
- Clar theory for radical benzenoids.. 49:2670-2676. 2009
- Posetic quantitative superstructure/activity relationships (QSSARs) for chlorobenzenes.. 45:870-879. 2005
- Random Walks and Chemical Graph Theory. 44:1521-1525. 2004
- The eight classes of positive-curvature graphitic nanocones. 2006