Richard A. Friesner

According to our database1, Richard A. Friesner authored at least 19 papers between 1996 and 2016.

Collaborative distances:
  • Dijkstra number2 of four.
  • Erdős number3 of four.

Timeline

Legend:

Book 
In proceedings 
Article 
PhD thesis 
Other 

Links

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Bibliography

2016
Highly efficient implementation of pseudospectral time-dependent density-functional theory for the calculation of excitation energies of large molecules.
Journal of Computational Chemistry, 2016

2015
Accurate Binding Free Energy Predictions in Fragment Optimization.
Journal of Chemical Information and Modeling, 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.
Journal of Computer-Aided Molecular Design, 2012

2010
ConfGen: A Conformational Search Method for Efficient Generation of Bioactive Conformers.
Journal of Chemical Information and Modeling, 2010

2007
Comparative Performance of Several Flexible Docking Programs and Scoring Functions: Enrichment Studies for a Diverse Set of Pharmaceutically Relevant Targets.
Journal of Chemical Information and Modeling, 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.
Journal of Computational Chemistry, 2006

PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results.
Journal of Computer-Aided Molecular Design, 2006

2005
Importance of accurate charges in molecular docking: Quantum mechanical/molecular mechanical (QM/MM) approach.
Journal of Computational Chemistry, 2005

Integrated Modeling Program, Applied Chemical Theory (IMPACT).
Journal of Computational Chemistry, 2005

2003
A computationally inexpensive modification of the point dipole electrostatic polarization model for molecular simulations.
Journal of Computational Chemistry, 2003

2002
Development of a polarizable force field for proteins via ab initio quantum chemistry: First generation model and gas phase tests.
Journal of Computational Chemistry, 2002

2001
Solvent models for protein-ligand binding: Comparison of implicit solvent poisson and surface generalized born models with explicit solvent simulations.
Journal of Computational Chemistry, 2001

2000
A mixed quantum mechanics/molecular mechanics (QM/MM) method for large-scale modeling of chemistry in protein environments.
Journal of Computational Chemistry, 2000

1999
Mixed ab initio QM/MM modeling using frozen orbitals and tests with alanine dipeptide and tetrapeptide.
Journal of Computational Chemistry, 1999

1998
Parallel pseudospectral electronic structure: I. Hartree-Fock calculations.
Journal of Computational Chemistry, 1998

Parallel pseudospectral electronic structure: II. Localized Møller-Plesset calculations.
Journal of Computational Chemistry, 1998

1997
Numerical solution of the Poisson-Boltzmann equation using tetrahedral finite-element meshes.
Journal of Computational Chemistry, 1997

An automatic three-dimensional finite element mesh generation system for the Poisson-Boltzmann equation.
Journal of Computational Chemistry, 1997

1996
Parallel implementation of a protein structure refinement algorithm.
Journal of Computational Chemistry, 1996


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