Tom Kurtzman
Affiliations: | Lehman College |
Area:
Computational/Theoretical ChemistryGoogle:
"Tom Kurtzman"Mean distance: 8.81 | S | N | B | C | P |
Parents
Sign in to add mentor| Hans C. Andersen | grad student | 1995-2002 | Stanford |
| Bruce J. Berne | post-doc | 2003-2006 | Lehman College |
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Publications
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| Wickstrom L, Gallicchio E, Chen L, et al. (2022) Developing end-point methods for absolute binding free energy calculation using the Boltzmann-quasiharmonic model. Physical Chemistry Chemical Physics : Pccp |
| Azimi S, Wu JZ, Khuttan S, et al. (2022) Application of the alchemical transfer and potential of mean force methods to the SAMPL8 host-guest blinded challenge. Journal of Computer-Aided Molecular Design. 36: 63-76 |
| Olson B, Cruz A, Chen L, et al. (2020) An Online Repository of Solvation Thermodynamic and Structural Maps of SARS-CoV-2 Targets. Chemrxiv : the Preprint Server For Chemistry |
| Ben-Shalom IY, Lin C, Kurtzman T, et al. (2020) Equilibration of Buried Water Molecules to Enhance Protein-Ligand Binding Free Energy Calculations Biophysical Journal. 118: 144a |
| Pal RK, Gadhiya S, Ramsey S, et al. (2019) Inclusion of enclosed hydration effects in the binding free energy estimation of dopamine D3 receptor complexes. Plos One. 14: e0222902 |
| He P, Sarkar S, Gallicchio E, et al. (2019) The Role of Displacing Confined Solvent in the Conformational Equilibrium of β-Cyclodextrin. The Journal of Physical Chemistry. B |
| Chen L, Cruz A, Ramsey S, et al. (2019) Hidden bias in the DUD-E dataset leads to misleading performance of deep learning in structure-based virtual screening. Plos One. 14: e0220113 |
| Nguyen C, Yamazaki T, Kovalenko A, et al. (2019) A molecular reconstruction approach to site-based 3D-RISM and comparison to GIST hydration thermodynamic maps in an enzyme active site. Plos One. 14: e0219473 |
| Ben-Shalom IY, Lin C, Kurtzman T, et al. (2019) Simulating Water Exchange to Buried Binding Sites. Journal of Chemical Theory and Computation |
| Gadhiya S, Cordone P, Pal RK, et al. (2018) New Dopamine D3-Selective Receptor Ligands Containing a 6-Methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol Motif. Acs Medicinal Chemistry Letters. 9: 990-995 |