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Robert Fraczkiewicz
Robert Fraczkiewicz
Simulations Plus, Inc.
Verified email at simulations-plus.com
Title
Cited by
Cited by
Year
Exact and efficient analytical calculation of the accessible surface areas and their gradients for macromolecules
R Fraczkiewicz, W Braun
Journal of computational chemistry 19 (3), 319-333, 1998
11591998
Common oxygen binding site in hemocyanins from arthropods and mollusks. Evidence from Raman spectroscopy and normal coordinate analysis
J Ling, LP Nestor, RS Czernuszewicz, TG Spiro, R Fraczkiewicz, ...
Journal of the American Chemical Society 116 (17), 7682-7691, 1994
1231994
Best of Both Worlds: Combining Pharma Data and State of the Art Modeling Technology To Improve in Silico pKa Prediction
R Fraczkiewicz, M Lobell, AH Göller, U Krenz, R Schoenneis, RD Clark, ...
Journal of chemical information and modeling 55 (2), 389-397, 2015
802015
Raman Signature of the Fe2O2 “Diamond” Core
EC Wilkinson, Y Dong, Y Zang, H Fujii, R Fraczkiewicz, G Fraczkiewicz, ...
Journal of the American Chemical Society 120 (5), 955-962, 1998
781998
Identification and Description of Copper-Thiolate Vibrations in the Dinuclear CuA Site of Cytochrome c Oxidase
CR Andrew, R Fraczkiewicz, RS Czernuszewicz, P Lappalainen, ...
Journal of the American Chemical Society 118 (43), 10436-10445, 1996
641996
Modeling admet
J Ghosh, MS Lawless, M Waldman, V Gombar, R Fraczkiewicz
In Silico Methods for Predicting Drug Toxicity, 63-83, 2016
402016
In silico prediction of ionization
R Fraczkiewicz
Elsevier, 2013
402013
A new efficient algorithm for calculating solvent accessible surface areas of macromolecules
R Fraczkiewicz, W Braun
Journal of computational chemistry 19, 319-326, 1998
321998
Tales from the war on error: the art and science of curating QSAR data
M Waldman, R Fraczkiewicz, RD Clark
Journal of computer-aided molecular design 29 (9), 897-910, 2015
252015
Using cheminformatics in drug discovery
MS Lawless, M Waldman, R Fraczkiewicz, RD Clark
New Approaches to Drug Discovery, 139-168, 2015
232015
Using beta binomials to estimate classification uncertainty for ensemble models
RD Clark, W Liang, AC Lee, MS Lawless, R Fraczkiewicz, M Waldman
Journal of Cheminformatics 6 (1), 1-19, 2014
232014
Busting the black box myth: designing out unwanted ADMET properties with machine learning approaches
R Fraczkiewicz, D Zhuang, J Zhang, D Miller, W Woltosz
CICSJ Bulletin 27 (4), 96-96, 2009
102009
Simulation of absorption, metabolism, and bioavailability
MB Bolger, B Agoram, R Fraczkiewicz, B Steere
Drug bioavailability: estimation of solubility, permeability, absorption and …, 2003
102003
Simulations of absorption, metabolism, and bioavailability
MB Bolger, R Fraczkiewicz, V Lukacova
Drug bioaVailability: estimation of solubility, permeability, absorption and …, 2008
92008
ramvib: a new flexible normal mode analysis software package for biological spectroscopists
R Fraczkiewicz, RS Czernuszewicz
Journal of molecular structure 435 (2), 109-121, 1997
81997
In silico surrogates for in vivo properties: Profiling for ADME and toxicological behavior
MB Bolger, R Fraczkiewicz, B Steere
Exploit. Chem. DiVersity Drug DiscoVery, 364-385, 2006
52006
Concepts for In Vitro Profiling: Drug Activity, Selectivity and Liability
MB BOLGER, R FRACZKIEWICZ, M ENTZEROTH, B STEERE
Exploiting Chemical Diversity for Drug Discovery, 336-362, 2006
32006
Predicting drug absorption by computational methods
MB Bolger, TM Gilman, R Fraczkiewicz, B Steere, WS Woltosz
Cell Culture Models of Biological Barriers, 387-411, 2002
32002
Estimating classification confidence for ensemble models
RD Clark, W Liang, M Waldman, R Fraczkiewicz
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 246, 2013
12013
Novel ADMET design tool for chemists
DW Miller, R Fraczkiewicz, WS Woltosz
Journal of Cheminformatics 3 (1), 1-1, 2011
12011
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