Thijs Beuming
Thijs Beuming
Latham Biopharm Group
Verifierad e-postadress på lathambiopharm.com
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Accurate and reliable prediction of relative ligand binding potency in prospective drug discovery by way of a modern free-energy calculation protocol and force field
L Wang, Y Wu, Y Deng, B Kim, L Pierce, G Krilov, D Lupyan, S Robinson, ...
Journal of the American Chemical Society 137 (7), 2695-2703, 2015
5902015
The binding sites for cocaine and dopamine in the dopamine transporter overlap
T Beuming, J Kniazeff, ML Bergmann, L Shi, L Gracia, K Raniszewska, ...
Nature neuroscience 11 (7), 780-789, 2008
3392008
A comprehensive structure-based alignment of prokaryotic and eukaryotic neurotransmitter/Na+ symporters (NSS) aids in the use of the LeuT structure to probe NSS structure and …
T Beuming, L Shi, JA Javitch, H Weinstein
Molecular pharmacology 70 (5), 1630-1642, 2006
2942006
PDZBase: a protein–protein interaction database for PDZ-domains
T Beuming, L Skrabanek, MY Niv, P Mukherjee, H Weinstein
Bioinformatics 21 (6), 827-828, 2005
2182005
Molecular determinants of selectivity and efficacy at the dopamine D3 receptor
AH Newman, T Beuming, AK Banala, P Donthamsetti, K Pongetti, ...
Journal of medicinal chemistry 55 (15), 6689-6699, 2012
1382012
Thermodynamic analysis of water molecules at the surface of proteins and applications to binding site prediction and characterization
T Beuming, Y Che, R Abel, B Kim, V Shanmugasundaram, W Sherman
Proteins: Structure, Function, and Bioinformatics 80 (3), 871-883, 2012
1362012
High‐energy water sites determine peptide binding affinity and specificity of PDZ domains
T Beuming, R Farid, W Sherman
Protein science 18 (8), 1609-1619, 2009
1182009
Identification of a small-molecule inhibitor of the PICK1 PDZ domain that inhibits hippocampal LTP and LTD
TS Thorsen, KL Madsen, N Rebola, M Rathje, V Anggono, A Bach, ...
Proceedings of the National Academy of Sciences 107 (1), 413-418, 2010
1152010
Hydration site thermodynamics explain SARs for triazolylpurines analogues binding to the A2A receptor
C Higgs, T Beuming, W Sherman
ACS medicinal chemistry letters 1 (4), 160-164, 2010
1022010
Improved docking of polypeptides with Glide
I Tubert-Brohman, W Sherman, M Repasky, T Beuming
Journal of chemical information and modeling 53 (7), 1689-1699, 2013
962013
State-dependent conformations of the translocation pathway in the tyrosine transporter Tyt1, a novel neurotransmitter: sodium symporter from Fusobacterium nucleatum
M Quick, H Yano, NR Goldberg, L Duan, T Beuming, L Shi, H Weinstein, ...
Journal of Biological Chemistry 281 (36), 26444-26454, 2006
902006
Current assessment of docking into GPCR crystal structures and homology models: successes, challenges, and guidelines
T Beuming, W Sherman
Journal of chemical information and modeling 52 (12), 3263-3277, 2012
882012
Molecular determinants for the complex binding specificity of the PDZ domain in PICK1
KL Madsen, T Beuming, MY Niv, C Chang, KK Dev, H Weinstein, ...
Journal of Biological Chemistry 280 (21), 20539-20548, 2005
852005
Ligand-Dependent Activation and Deactivation of the Human Adenosine A2A Receptor
J Li, AL Jonsson, T Beuming, JC Shelley, GA Voth
Journal of the American Chemical Society 135 (23), 8749-8759, 2013
832013
A knowledge-based scale for the analysis and prediction of buried and exposed faces of transmembrane domain proteins
T Beuming, H Weinstein
Bioinformatics 20 (12), 1822-1835, 2004
812004
Successful prediction of the intra-and extracellular loops of four G-protein-coupled receptors
DA Goldfeld, K Zhu, T Beuming, RA Friesner
Proceedings of the National Academy of Sciences 108 (20), 8275-8280, 2011
792011
Steric hindrance mutagenesis in the conserved extracellular vestibule impedes allosteric binding of antidepressants to the serotonin transporter
P Plenge, L Shi, T Beuming, J Te, AH Newman, H Weinstein, U Gether, ...
Journal of Biological Chemistry 287 (47), 39316-39326, 2012
702012
Predicting binding affinities for GPCR ligands using free-energy perturbation
EB Lenselink, J Louvel, AF Forti, JPD van Veldhoven, H de Vries, ...
ACS omega 1 (2), 293-304, 2016
692016
Discovery and Characterization of a G Protein–Biased Agonist That Inhibits β-Arrestin Recruitment to the D2 Dopamine Receptor
RB Free, LS Chun, AE Moritz, BN Miller, TB Doyle, JL Conroy, A Padron, ...
Molecular pharmacology 86 (1), 96-105, 2014
622014
What can crystal structures of aminergic receptors tell us about designing subtype-selective ligands?
M Michino, T Beuming, P Donthamsetti, AH Newman, JA Javitch, L Shi
Pharmacological Reviews 67 (1), 198-213, 2015
612015
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Artiklar 1–20