Heather A. Carlson
Heather A. Carlson
Odyssey Therapeutics and University of Michigan, Ann Arbor
Verified email at
Cited by
Cited by
Development of polyphosphate parameters for use with the AMBER force field
KL Meagher, LT Redman, HA Carlson
Journal of computational chemistry 24 (9), 1016-1025, 2003
Accommodating protein flexibility in computational drug design
HA Carlson, JA McCammon
Molecular pharmacology 57 (2), 213-218, 2000
Protein flexibility and drug design: how to hit a moving target
HA Carlson
Current opinion in chemical biology 6 (4), 447-452, 2002
Developing a dynamic pharmacophore model for HIV-1 integrase
HA Carlson, KM Masukawa, K Rubins, FD Bushman, WL Jorgensen, ...
Journal of medicinal chemistry 43 (11), 2100-2114, 2000
Binding MOAD (mother of all databases)
L Hu, ML Benson, RD Smith, MG Lerner, HA Carlson
Proteins: Structure, Function, and Bioinformatics 60 (3), 333-340, 2005
An extended linear response method for determining free energies of hydration
HA Carlson, WL Jorgensen
The Journal of Physical Chemistry 99 (26), 10667-10673, 1995
D3R grand challenge 2015: evaluation of protein–ligand pose and affinity predictions
S Gathiaka, S Liu, M Chiu, H Yang, JA Stuckey, YN Kang, J Delproposto, ...
Journal of computer-aided molecular design 30, 651-668, 2016
Accuracy of free energies of hydration for organic molecules from 6‐31g*‐derived partial charges
HA Carlson, TB Nguyen, M Orozco, WL Jorgensen
Journal of computational chemistry 14 (10), 1240-1249, 1993
Binding MOAD, a high-quality protein–ligand database
ML Benson, RD Smith, NA Khazanov, B Dimcheff, J Beaver, P Dresslar, ...
Nucleic acids research 36 (suppl_1), D674-D678, 2007
Protein flexibility is an important component of structure-based drug discovery
HA Carlson
Current Pharmaceutical Design 8 (17), 1571-1578, 2002
Binding of a small molecule at a protein–protein interface regulates the chaperone activity of hsp70–hsp40
S WisÚn, EB Bertelsen, AD Thompson, S Patury, P Ung, L Chang, ...
ACS chemical biology 5 (6), 611-622, 2010
Protein flexibility in docking and surface mapping
KW Lexa, HA Carlson
Quarterly reviews of biophysics 45 (3), 301-343, 2012
Small molecule inhibitors of the MDM2-p53 interaction discovered by ensemble-based receptor models
AL Bowman, Z Nikolovska-Coleska, H Zhong, S Wang, HA Carlson
Journal of the American Chemical Society 129 (42), 12809-12814, 2007
CSAR benchmark exercise of 2010: selection of the protein–ligand complexes
JB Dunbar Jr, RD Smith, CY Yang, PMU Ung, KW Lexa, NA Khazanov, ...
Journal of chemical information and modeling 51 (9), 2036-2046, 2011
CSAR benchmark exercise of 2010: combined evaluation across all submitted scoring functions
RD Smith, JB Dunbar Jr, PMU Ung, EX Esposito, CY Yang, S Wang, ...
Journal of chemical information and modeling 51 (9), 2115-2131, 2011
Exploring experimental sources of multiple protein conformations in structure-based drug design
KL Damm, HA Carlson
Journal of the American Chemical Society 129 (26), 8225-8235, 2007
Gaussian-weighted RMSD superposition of proteins: a structural comparison for flexible proteins and predicted protein structures
KL Damm, HA Carlson
Biophysical journal 90 (12), 4558-4573, 2006
Method for including the dynamic fluctuations of a protein in computer-aided drug design
HA Carlson, KM Masukawa, JA McCammon
The Journal of Physical Chemistry A 103 (49), 10213-10219, 1999
Incorporating protein flexibility in structure-based drug discovery: using HIV-1 protease as a test case
KL Meagher, HA Carlson
Journal of the American Chemical Society 126 (41), 13276-13281, 2004
CSAR benchmark exercise 2011–2012: evaluation of results from docking and relative ranking of blinded congeneric series
KL Damm-Ganamet, RD Smith, JB Dunbar Jr, JA Stuckey, HA Carlson
Journal of chemical information and modeling 53 (8), 1853-1870, 2013
The system can't perform the operation now. Try again later.
Articles 1–20