Eric J. Martin
Eric J. Martin
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Discovery of nanomolar ligands for 7-transmembrane G-protein-coupled receptors from a diverse N-(substituted) glycine peptoid library
RN Zuckermann, EJ Martin, DC Spellmeyer, GB Stauber, KR Shoemaker, ...
Journal of medicinal chemistry 37 (17), 2678-2685, 1994
Measuring diversity: experimental design of combinatorial libraries for drug discovery
EJ Martin, JM Blaney, MA Siani, DC Spellmeyer, AK Wong, WH Moos
Journal of medicinal chemistry 38 (9), 1431-1436, 1995
3-D pharmacophores in drug discovery
JS Mason, AC Good, EJ Martin
Current pharmaceutical design 7 (7), 567-597, 2001
Combinatorial peptide and nonpeptide libraries: a handbook
G Jung
John Wiley & Sons, 2008
Beyond mere diversity: tailoring combinatorial libraries for drug discovery
EJ Martin, RE Critchlow
Journal of combinatorial chemistry 1 (1), 32-45, 1999
Barriers to rotation adjacent to double bonds
KB Wiberg, E Martin
Journal of the American Chemical Society 107 (18), 5035-5041, 1985
Conformational sampling of bioactive molecules: a comparative study
DK Agrafiotis, AC Gibbs, F Zhu, S Izrailev, E Martin
Journal of chemical information and modeling 47 (3), 1067-1086, 2007
The discovery of tetrahydro-β-carbolines as inhibitors of the kinesin Eg5
PA Barsanti, W Wang, ZJ Ni, D Duhl, N Brammeier, E Martin, D Bussiere, ...
Bioorganic & medicinal chemistry letters 20 (1), 157-160, 2010
Computational approaches for combinatorial library design and molecular diversity analysis
JM Blaney, EJ Martin
Current opinion in chemical biology 1 (1), 54-59, 1997
Toxicity of human hemoglobin solution infused into rabbits
CT White, AJ Murray, JR Greene, DJ Smith, F Medina, GT Makovec, ...
The Journal of laboratory and clinical medicine 108 (2), 117-120, 1986
Target-biased scoring approaches and expert systems in structure-based virtual screening
JM Jansen, EJ Martin
Current opinion in chemical biology 8 (4), 359-364, 2004
A molecular mechanics valence force field for sulfonamides derived by ab initio methods
JB Nicholas, R Vance, E Martin, BJ Burke, AJ Hopfinger
The Journal of Physical Chemistry 95 (24), 9803-9811, 1991
Profile-QSAR: A Novel meta-QSAR Method that Combines Activities across the Kinase Family To Accurately Predict Affinity, Selectivity, and Cellular Activity
E Martin, P Mukherjee, D Sullivan, J Jansen
Journal of chemical information and modeling 51 (8), 1942-1956, 2011
Conformational analysis of macrocycles: finding what common search methods miss
P Bonnet, DK Agrafiotis, F Zhu, E Martin
Journal of chemical information and modeling 49 (10), 2242-2259, 2009
Profile-QSAR 2.0: Kinase Virtual Screening Accuracy Comparable to Four-Concentration IC50s for Realistically Novel Compounds
EJ Martin, VR Polyakov, L Tian, RC Perez
Journal of chemical information and modeling 57 (8), 2077-2088, 2017
AutoShim: Empirically Corrected Scoring Functions for Quantitative Docking with a Crystal Structure and IC50 Training Data
EJ Martin, DC Sullivan
Journal of chemical information and modeling 48 (4), 861-872, 2008
Kinase-kernel models: accurate in silico screening of 4 million compounds across the entire human kinome
E Martin, P Mukherjee
Journal of chemical information and modeling 52 (1), 156-170, 2012
Does Combinatorial Chemistry Obviate Computer‐Aided Drug Design?
EJ Martin, DC Spellmeyer, RE Critchlow Jr, JM Blaney
Reviews in computational chemistry, 75-100, 1996
In silico generation of novel, drug-like chemical matter using the LSTM neural network
P Ertl, R Lewis, E Martin, V Polyakov
arXiv preprint arXiv:1712.07449, 2017
Fusion of disubstituted benzenes.
E Martin, SH Yalkowsky, JE Wells
J. Pharm. Sci., 68 (5), 565-8, 1979
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