J. Chris Culberson

Merck & Co., Inc., Rahway, NJ, USA (United States) — United States

Physics and Astronomy · Physical Sciences

14h-index1.3kcitations35works0.02yr avg
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Research Topics

Advanced Chemical Physics Studies(10), Computational Drug Discovery Methods(7), Atomic and Molecular Physics(4), Spectroscopy and Quantum Chemical Studies(4), Neuroendocrine regulation and behavior(4)

Publications35 total

Prediction Accuracy of Production ADMET Models as a Function of Version: Activity Cliffs Rule
Journal of Chemical Information and Modeling·2022· 27 cited
Absolute configuration assignment of (+)‐fluralaner using vibrational circular dichroism
Chirality·2017· 9 cited
Iterative Focused Screening with Biological Fingerprints Identifies Selective Asc-1 Inhibitors Distinct from Traditional High Throughput Screening
ACS Chemical Biology·2016· 20 cited
Chemical Space and the Difference Between Natural Products and Synthetics
2009· 8 cited
Application of the saddle-point variational method to self-consistent-field wave functions
International Journal of Quantum Chemistry·2009
An investigation into the specificity of soman analogues toward the antibody BE2 using electrostatic potentials
International Journal of Quantum Chemistry·2009
Mobility of the fermi hole in a single-determinant wavefunction
International Journal of Quantum Chemistry·2009· 19 cited
Comparison of Topological, Shape, and Docking Methods in Virtual Screening.
ChemInform·2007· 3 citedOpen Access
Comparison of Topological, Shape, and Docking Methods in Virtual Screening
Journal of Chemical Information and Modeling·2007· 415 cited
Scoring of KDR Kinase Inhibitors: Using Interaction Energy as a Guide for Ranking
Molecular Diversity·2006· 5 cited
Molecular Transformations as a Way of Finding and Exploiting Consistent Local QSAR.
ChemInform·2006· 5 cited
Molecular Transformations as a Way of Finding and Exploiting Consistent Local QSAR
Journal of Chemical Information and Modeling·2005· 90 cited
Binding Model for Nonpeptide Antagonists of α<sub>v</sub>β<sub>3</sub> Integrin
Journal of Medicinal Chemistry·2002· 48 citedOpen Access
ChemInform Abstract: Synthesis of 1,19‐Aza‐1,19‐desoxy‐avermectin B<sub>1a</sub>: The First Avermectin Macrolactam.
ChemInform·1998
Synthesis of 1,19-Aza-1,19-desoxy-avermectin B<sub>1a</sub>:  The First Avermectin Macrolactam
The Journal of Organic Chemistry·1998· 11 cited
Orally bioavailable nonapeptide oxytocin antagonists
1995
Conformationally constrained o-tolylpiperazine camphorsulfonamide oxytocin antagonists. Structural modifications that provide high receptor affinity and suggest a bioactive conformation.
Bioorganic & Medicinal Chemistry·1994· 4 cited
Structure-Based Design of HIV-1 Protease Inhibitors: Replacement of Two Amides and a 10.pi.-Aromatic System by a Fused Bis-tetrahydrofuran
Journal of Medicinal Chemistry·1994· 69 citedOpen Access
ChemInform Abstract: 1‐(((7,7‐Dimethyl‐2(S)‐(2(S)‐amino‐4‐(methylsulfonyl)butyramido) bicyclo(2.2.1)heptan‐1(S)‐yl)methyl)sulfonyl)‐4‐(2‐methylphenyl) piperazine (L‐368,899): An Orally Bioavailable, Non‐Peptide Oxytocin Antagonist with Potential Utility for Managing Preterm Labor.
ChemInform·1994· 13 cited
1-(((7,7-Dimethyl-2(S)-(2(S)-amino-4-(methylsulfonyl)butyramido)bicyclo[2.2.1]heptan-1(S)-yl)methyl)sulfonyl)-4-(2-methylphenyl)piperazine (L-368,899): An Orally Bioavailable, Non-Peptide Oxytocin Antagonist with Potential Utility for Managing Preterm Labor
Journal of Medicinal Chemistry·1994· 92 citedOpen Access
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Frequent Co-authors

William L. Luken(8), Robert P. Sheridan(5), Michael C. Zerner(4), Bradley V. Clineschmidt(4), D. Eric Walters(4), Georgia B. McGaughey(3), Constantine Kreatsoulas(3), Vladimir N. Maiorov(3), Paul Anderson(3), Richard G. Ball(3), Jill M. Erb(3), Roger Freidinger(3), Douglas J. Pettibone(3), Christopher I. Bayly(2), Stacey R. Lindsley(2), Jean‐François Truchon(2), Wendy D. Cornell(2), Peter Knappe(2), Mark G. Bock(2), LeighAnne Carroll(2)