Richard A. Friesner
According to our database1,
Richard A. Friesner
authored at least 20 papers
between 1996 and 2021.
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Bibliography
2021
J. Comput. Chem., 2021
2016
Highly efficient implementation of pseudospectral time-dependent density-functional theory for the calculation of excitation energies of large molecules.
J. Comput. Chem., 2016
2015
J. Chem. Inf. Model., 2015
2012
Docking performance of the glide program as evaluated on the Astex and DUD datasets: a complete set of glide SP results and selected results for a new scoring function integrating WaterMap and glide.
J. Comput. Aided Mol. Des., 2012
2010
ConfGen: A Conformational Search Method for Efficient Generation of Bioactive Conformers.
J. Chem. Inf. Model., 2010
2007
Comparative Performance of Several Flexible Docking Programs and Scoring Functions: Enrichment Studies for a Diverse Set of Pharmaceutically Relevant Targets.
J. Chem. Inf. Model., 2007
2006
What role do surfaces play in GB models? A new-generation of surface-generalized born model based on a novel gaussian surface for biomolecules.
J. Comput. Chem., 2006
PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results.
J. Comput. Aided Mol. Des., 2006
2005
Importance of accurate charges in molecular docking: Quantum mechanical/molecular mechanical (QM/MM) approach.
J. Comput. Chem., 2005
J. Comput. Chem., 2005
2003
A computationally inexpensive modification of the point dipole electrostatic polarization model for molecular simulations.
J. Comput. Chem., 2003
2002
Development of a polarizable force field for proteins via ab initio quantum chemistry: First generation model and gas phase tests.
J. Comput. Chem., 2002
2001
Solvent models for protein-ligand binding: Comparison of implicit solvent poisson and surface generalized born models with explicit solvent simulations.
J. Comput. Chem., 2001
2000
A mixed quantum mechanics/molecular mechanics (QM/MM) method for large-scale modeling of chemistry in protein environments.
J. Comput. Chem., 2000
1999
Mixed ab initio QM/MM modeling using frozen orbitals and tests with alanine dipeptide and tetrapeptide.
J. Comput. Chem., 1999
1998
J. Comput. Chem., 1998
Parallel pseudospectral electronic structure: II. Localized Møller-Plesset calculations.
J. Comput. Chem., 1998
1997
Numerical solution of the Poisson-Boltzmann equation using tetrahedral finite-element meshes.
J. Comput. Chem., 1997
An automatic three-dimensional finite element mesh generation system for the Poisson-Boltzmann equation.
J. Comput. Chem., 1997
1996
J. Comput. Chem., 1996