Harry A. Stern

发表

Evaluating Docking Methods for Prediction of Binding Affinities of Small Molecules to the G Protein βγ Subunits

Min-Sun Park, Axel L. Dessal, Alan V. Smrcka, 2009, J. Chem. Inf. Model..

Antigenic cartography of H1N1 influenza viruses using sequence-based antigenic distance calculation

Harry A. Stern, Hongmei Yang, Christopher S. Anderson, 2018, BMC Bioinformatics.

Development of a polarizable force field for proteins via ab initio quantum chemistry: First generation model and gas phase tests

Harry A. Stern, Ruhong Zhou, Richard A. Friesner, 2002, J. Comput. Chem..

Bridging the gap between long time trajectories and reaction pathways

Harry A. Stern, Ron Elber, Avijit Ghosh, 2003 .

Accelerating calculations of RNA secondary structure partition functions using GPUs

Harry A. Stern, David H. Mathews, D. Mathews, 2013, Algorithms for Molecular Biology.

Simple algorithm for isothermal–isobaric molecular dynamics

Harry A. Stern, H. Stern, 2004, J. Comput. Chem..

Calculation of the dielectric permittivity profile for a nonuniform system: Application to a lipid bilayer simulation

Harry A. Stern, S. Feller, H. Stern, 2003 .

Can Water Polarizability Be Ignored in Hydrogen Bond Kinetics

Harry A. Stern, Huafeng Xu, Bruce J. Berne, 2002 .

Reparameterization of RNA χ Torsion Parameters for the AMBER Force Field and Comparison to NMR Spectra for Cytidine and Uridine

Harry A. Stern, Scott D. Kennedy, Douglas H. Turner, 2010, Journal of chemical theory and computation.

Revision of AMBER Torsional Parameters for RNA Improves Free Energy Predictions for Tetramer Duplexes with GC and iGiC Base Pairs

Harry A. Stern, Scott D. Kennedy, Douglas H. Turner, 2011, Journal of chemical theory and computation.

Controlled Oxidation of Remote sp3 C–H Bonds in Artemisinin via P450 Catalysts with Fine-Tuned Regio- and Stereoselectivity

Harry A. Stern, Rudi Fasan, H. Stern, 2012, Journal of the American Chemical Society.

Fluctuating Charge, Polarizable Dipole, and Combined Models: Parameterization from ab Initio Quantum Chemistry

Harry A. Stern, Ruhong Zhou, Richard A. Friesner, 1999 .

Strength of the N-HiiiO=C and C-HiiiO=C Bonds in Formamide and N-Methylacetamide Dimers

Harry A. Stern, Richard A. Friesner, David A. Dixon, 2001 .