Daniel T. Mainz
Schrodinger (United States)(US)
Publications by Year
Research Areas
Advanced Chemical Physics Studies, Protein Structure and Dynamics, Computational Drug Discovery Methods, Spectroscopy and Quantum Chemical Studies, Advanced Polymer Synthesis and Characterization
Most-Cited Works
- → Glide: A New Approach for Rapid, Accurate Docking and Scoring. 1. Method and Assessment of Docking Accuracy(2004)9,716 cited
- → Extra Precision Glide: Docking and Scoring Incorporating a Model of Hydrophobic Enclosure for Protein−Ligand Complexes(2006)6,737 cited
- → Integrated Modeling Program, Applied Chemical Theory (IMPACT)(2005)1,487 cited
- → Parametrizing a polarizable force field from ab initio data. I. The fluctuating point charge model(1999)249 cited
- → Stabilization of Coiled-Coil Peptide Domains by Introduction of Trifluoroleucine(2001)161 cited
- → New pseudospectral algorithms for electronic structure calculations: Length scale separation and analytical two-electron integral corrections(1994)134 cited
- → Quantum chemical package Jaguar: A survey of recent developments and unique features(2024)44 cited
- → Multiscale modeling and simulation methods with applications to dendritic polymers(2001)42 cited
- → Correlation Analysis of Chemical Bonds (CACB) II: Quantum Mechanical Operators for Classical Chemical Concepts(2000)12 cited
- → Extension of the PS-GVB electronic structure code to transition metal complexes(1997)7 cited