R. Murphy

发表

Glide: a new approach for rapid, accurate docking and scoring. 2. Enrichment factors in database screening.

Hege S. Beard, R. Friesner, T. Halgren, 2004, Journal of medicinal chemistry.

Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy.

Matthew P. Repasky, J. K. Perry, Daniel T. Mainz, 2004, Journal of medicinal chemistry.

Extra precision glide: docking and scoring incorporating a model of hydrophobic enclosure for protein-ligand complexes.

Matthew P. Repasky, Daniel T. Mainz, R. Friesner, 2006, Journal of medicinal chemistry.

Frozen orbital QM/MM methods for density functional theory

R. Friesner, R. Murphy, D. Philipp, 2000 .

Accurate First Principles Calculation of Molecular Charge Distributions and Solvation Energies from Ab Initio Quantum Mechanics and Continuum Dielectric Theory

B. Honig, R. Friesner, D. Sitkoff, 1994 .

A mixed quantum mechanics/molecular mechanics (QM/MM) method for large‐scale modeling of chemistry in protein environments

Richard A. Friesner, Robert B. Murphy, Dean M. Philipp, 2000, J. Comput. Chem..

WScore: A Flexible and Accurate Treatment of Explicit Water Molecules in Ligand-Receptor Docking.

Matthew P. Repasky, R. Friesner, R. Murphy, 2016, Journal of medicinal chemistry.

Pseudospectral Methods in Ab Initio Quantum Chemistry

R. Friesner, R. Murphy, M. Ringnalda, 2002 .

Reliable and Accurate Solution to the Induced Fit Docking Problem for Protein-Ligand Binding.

Daniel J. Sindhikara, Matthew J. Grisewood, Steven V. Jerome, 2020, Journal of chemical theory and computation.

Accurate quantum chemical calculation of the relative energetics of C20 carbon clusters via localized multireference perturbation calculations

R. Friesner, R. Murphy, 1998 .

A generalized valence bond representation of complete‐active‐space self‐consistent‐field (CASSCF) wave functions

R. P. Messmer, R. Murphy, 1993 .

Site specific fragmentation in molecules: Auger‐electron ion coincidence studies on N2O

R. Murphy, W. Eberhardt, 1988 .

Pseudospectral localized Mo/ller–Plesset methods: Theory and calculation of conformational energies

Richard A. Friesner, Robert B. Murphy, Michael D. Beachy, 1995 .

How iron-containing proteins control dioxygen chemistry: a detailed atomic level description via accurate quantum chemical and mixed quantum mechanics/molecular mechanics calculations

Benjamin F. Gherman, R. Friesner, R. Murphy, 2003 .

An experimental study of hydrogen adsorption on simple metals: Al and Na

R. Murphy, K. Tsuei, E. Plummer, 1988 .

Integrated Modeling Program, Applied Chemical Theory (IMPACT)

Richard A. Friesner, Anthony K. Felts, Ronald M. Levy, 2005, J. Comput. Chem..

Auger Electron-Ion Coincidence Studies on Free Molecules

R. Murphy, W. Eberhardt, 1988 .

Ab initio quantum chemical calculation of electron transfer matrix elements for large molecules

Richard A. Friesner, Robert B. Murphy, R. Friesner, 1997 .

Multiconfigurational Perturbation Theory

R. P. Messmer, R. Murphy, 1994 .

The core hole decay of N2O following core to bound state excitations

R. Murphy, W. Eberhardt, E. Plummer, 1988 .

ConfGen: A Conformational Search Method for Efficient Generation of Bioactive Conformers

Woody Sherman, Richard A. Friesner, Robert B. Murphy, 2010, J. Chem. Inf. Model..

Calculation of atomization energies by a multiconfigurational localized perturbation theory—Application for closed shell cases

R. Friesner, R. Murphy, B. Dunietz, 1999 .

Pseudospectral localized generalized Mo/ller–Plesset methods with a generalized valence bond reference wave function: Theory and calculation of conformational energies

Richard A. Friesner, Robert B. Murphy, W. Thomas Pollard, 1997 .

Pseudospectral contracted configuration interaction from a generalized valence bond reference

Richard A. Friesner, William A. Goddard, Robert B. Murphy, 1994 .

Generalized Mo/ller–Plesset and Epstein–Nesbet perturbation theory applied to multiply bonded molecules

Robert B. Murphy, Richard P. Messmer, R. P. Messmer, 1992 .

Generalized Møller—Plesset perturbation theory applied to general MCSCF reference wave functions

Robert B. Murphy, Richard P. Messmer, R. P. Messmer, 1991 .

Correlation in first-row transition metal atoms using generalized Mo/ller–Plesset perturbation theory

Robert B. Murphy, Richard P. Messmer, R. P. Messmer, 1992 .

Yixiang Cao, Richard A. Friesner, Robert B. Murphy, 1999 .

Accurate ab Initio Quantum Chemical Determination of the Relative Energetics of Peptide Conformations and Assessment of Empirical Force Fields

Richard A. Friesner, Thomas A. Halgren, Robert B. Murphy, 1997 .

The effect of the nuclear motion on the electronic decay of core hole excited states in molecules

R. Murphy, W. Eberhardt, I. Lyo, 1988 .

Docking and free energy perturbation studies of ligand binding in the kappa opioid receptor.

Robert Abel, Lingle Wang, Richard A Friesner, 2015, The journal of physical chemistry. B.

A quasiparticle derivation of a zeroth-order Hamiltonian for use in multiconfigurational perturbation theories

Robert B. Murphy, Richard P. Messmer, R. P. Messmer, 1993 .

Parallel pseudospectral electronic structure: II. Localized Møller–Plesset calculations

Richard A. Friesner, Robert B. Murphy, David Chasman, 1998 .

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..

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

Richard A. Friesner, Sathesh Bhat, Ivan Tubert-Brohman, 2012, Journal of Computer-Aided Molecular Design.

A mixed quantum mechanics/molecular mechanics (QM/MM) method for large-scale modeling of chemistry in protein environments

Richard A. Friesner, Robert B. Murphy, Dean M. Philipp, 2000, J. Comput. Chem..

Efficient pseudospectral methods for density functional calculations

R. Friesner, R. Murphy, M. Ringnalda, 2000 .

WScore: A Flexible and Accurate Treatment of Explicit Water Molecules in Ligand-Receptor Docking.

Matthew P. Repasky, R. Friesner, R. Murphy, 2016, Journal of medicinal chemistry.

Reliable and Accurate Solution to the Induced Fit Docking Problem for Protein-Ligand Binding.

Daniel J. Sindhikara, S. L. Dixon, Matthew J. Grisewood, 2021, Journal of chemical theory and computation.