Rob Murphy
Rob Murphy
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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
58842004
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
35472006
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
29492004
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
11091994
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
9851996
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
9662005
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
4232000
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
3721997
Physics and chemistry of alkali metal adsorption
HP Bonzel, AM Bradshaw, G Ertl
Bad Honef, FRG, Feb. 1989, 1989
3391989
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
3212002
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
3161999
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
3112010
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
1911995
Generalized Møller—Plesset perturbation theory applied to general MCSCF reference wave functions
RB Murphy, RP Messmer
Chemical physics letters 183 (5), 443-448, 1991
1741991
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
1551989
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
1551989
Frozen orbital QM/MM methods for density functional theory
RB Murphy, DM Philipp, RA Friesner
Chemical Physics Letters 321 (1-2), 113-120, 2000
1282000
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
1151992
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 (6), 787-799, 2012
982012
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
931988
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Artiklar 1–20