| Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy RA Friesner, JL Banks, RB Murphy, TA Halgren, JJ Klicic, DT Mainz, ... Journal of medicinal chemistry 47 (7), 1739-1749, 2004 | 10201 | 2004 |
| Extra precision glide: Docking and scoring incorporating a model of hydrophobic enclosure for protein− ligand complexes RA Friesner, RB Murphy, MP Repasky, LL Frye, JR Greenwood, ... Journal of medicinal chemistry 49 (21), 6177-6196, 2006 | 6997 | 2006 |
| Glide: a new approach for rapid, accurate docking and scoring. 2. Enrichment factors in database screening TA Halgren, RB Murphy, RA Friesner, HS Beard, LL Frye, WT Pollard, ... Journal of medicinal chemistry 47 (7), 1750-1759, 2004 | 5383 | 2004 |
| Integrated modeling program, applied chemical theory (IMPACT) JL Banks, HS Beard, Y Cao, AE Cho, W Damm, R Farid, AK Felts, ... Journal of computational chemistry 26 (16), 1752-1780, 2005 | 1522 | 2005 |
| Accurate first principles calculation of molecular charge distributions and solvation energies from ab initio quantum mechanics and continuum dielectric theory DJ Tannor, B Marten, R Murphy, RA Friesner, D Sitkoff, A Nicholls, ... Journal of the American Chemical Society 116 (26), 11875-11882, 1994 | 1237 | 1994 |
| New model for calculation of solvation free energies: correction of self-consistent reaction field continuum dielectric theory for short-range hydrogen-bonding effects B Marten, K Kim, C Cortis, RA Friesner, RB Murphy, MN Ringnalda, ... The Journal of Physical Chemistry 100 (28), 11775-11788, 1996 | 1128 | 1996 |
| A mixed quantum mechanics/molecular mechanics (QM/MM) method for large‐scale modeling of chemistry in protein environments RB Murphy, DM Philipp, RA Friesner Journal of Computational Chemistry 21 (16), 1442-1457, 2000 | 518 | 2000 |
| ConfGen: a conformational search method for efficient generation of bioactive conformers KS Watts, P Dalal, RB Murphy, W Sherman, RA Friesner, JC Shelley Journal of chemical information and modeling 50 (4), 534-546, 2010 | 493 | 2010 |
| Physics and chemistry of alkali metal adsorption HP Bonzel, AM Bradshaw, G Ertl (No Title), 1989 | 423 | 1989 |
| Accurate ab initio quantum chemical determination of the relative energetics of peptide conformations and assessment of empirical force fields MD Beachy, D Chasman, RB Murphy, TA Halgren, RA Friesner Journal of the American Chemical Society 119 (25), 5908-5920, 1997 | 405 | 1997 |
| Development of a polarizable force field for proteins via ab initio quantum chemistry: First generation model and gas phase tests GA Kaminski, HA Stern, BJ Berne, RA Friesner, YX Cao, RB Murphy, ... Journal of computational chemistry 23 (16), 1515-1531, 2002 | 369 | 2002 |
| Correlated ab initio electronic structure calculations for large molecules RA Friesner, RB Murphy, MD Beachy, MN Ringnalda, WT Pollard, ... The Journal of Physical Chemistry A 103 (13), 1913-1928, 1999 | 350 | 1999 |
| Pseudospectral localized mo/ller–plesset methods: Theory and calculation of conformational energies RB Murphy, MD Beachy, RA Friesner, MN Ringnalda The Journal of chemical physics 103 (4), 1481-1490, 1995 | 212 | 1995 |
| Generalized Møller—Plesset perturbation theory applied to general MCSCF reference wave functions RB Murphy, RP Messmer Chemical physics letters 183 (5), 443-448, 1991 | 192 | 1991 |
| 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 … MP Repasky, RB Murphy, JL Banks, JR Greenwood, I Tubert-Brohman, ... Journal of computer-aided molecular design 26, 787-799, 2012 | 163 | 2012 |
| Second-harmonic generation from the surface of a simple metal, Al R Murphy, M Yeganeh, KJ Song, EW Plummer Physical review letters 63 (3), 318, 1989 | 159 | 1989 |
| Frozen orbital QM/MM methods for density functional theory RB Murphy, DM Philipp, RA Friesner Chemical Physics Letters 321 (1-2), 113-120, 2000 | 146 | 2000 |
| Generalized Mo/ller–Plesset and Epstein–Nesbet perturbation theory applied to multiply bonded molecules RB Murphy, RP Messmer The Journal of chemical physics 97 (6), 4170-4184, 1992 | 122 | 1992 |
| Reliable and accurate solution to the induced fit docking problem for protein–ligand binding EB Miller, RB Murphy, D Sindhikara, KW Borrelli, MJ Grisewood, F Ranalli, ... Journal of Chemical Theory and Computation 17 (4), 2630-2639, 2021 | 109 | 2021 |
| Site specific fragmentation in molecules: Auger‐electron ion coincidence studies on N2O R Murphy, W Eberhardt The Journal of chemical physics 89 (7), 4054-4057, 1988 | 101 | 1988 |
Daniel MainzSchrödinger, Inc.Adresse e-mail validée de schrodinger.com
