Format
Sort by
Items per page

Send to

Choose Destination

Search results

Items: 16

1.

Water Pharmacophore: Designing Ligands using Molecular Dynamics Simulations with Water.

Jung SW, Kim M, Ramsey S, Kurtzman T, Cho AE.

Sci Rep. 2018 Jul 10;8(1):10400. doi: 10.1038/s41598-018-28546-z.

2.

Solvation Structure and Thermodynamic Mapping (SSTMap): An Open-Source, Flexible Package for the Analysis of Water in Molecular Dynamics Trajectories.

Haider K, Cruz A, Ramsey S, Gilson MK, Kurtzman T.

J Chem Theory Comput. 2018 Jan 9;14(1):418-425. doi: 10.1021/acs.jctc.7b00592. Epub 2017 Dec 8.

PMID:
29161510
3.

Testing inhomogeneous solvation theory in structure-based ligand discovery.

Balius TE, Fischer M, Stein RM, Adler TB, Nguyen CN, Cruz A, Gilson MK, Kurtzman T, Shoichet BK.

Proc Natl Acad Sci U S A. 2017 Aug 15;114(33):E6839-E6846. doi: 10.1073/pnas.1703287114. Epub 2017 Jul 31.

4.

Clinical Characterization of Patients With Autosomal Dominant Short Stature due to Aggrecan Mutations.

Gkourogianni A, Andrew M, Tyzinski L, Crocker M, Douglas J, Dunbar N, Fairchild J, Funari MF, Heath KE, Jorge AA, Kurtzman T, LaFranchi S, Lalani S, Lebl J, Lin Y, Los E, Newbern D, Nowak C, Olson M, Popovic J, Pruhová Š, Elblova L, Quintos JB, Segerlund E, Sentchordi L, Shinawi M, Stattin EL, Swartz J, Angel AG, Cuéllar SD, Hosono H, Sanchez-Lara PA, Hwa V, Baron J, Nilsson O, Dauber A.

J Clin Endocrinol Metab. 2017 Feb 1;102(2):460-469. doi: 10.1210/jc.2016-3313.

5.

Erratum to: A combined treatment of hydration and dynamical effects for the modeling of host-guest binding thermodynamics: the SAMPL5 blinded challenge.

Pal RK, Haider K, Kaur D, Flynn W, Xia J, Levy RM, Taran T, Wickstrom L, Kurtzman T, Gallicchio E.

J Comput Aided Mol Des. 2017 Jan;31(1):45. doi: 10.1007/s10822-016-9987-z. No abstract available.

PMID:
27815770
6.

A combined treatment of hydration and dynamical effects for the modeling of host-guest binding thermodynamics: the SAMPL5 blinded challenge.

Pal RK, Haider K, Kaur D, Flynn W, Xia J, Levy RM, Taran T, Wickstrom L, Kurtzman T, Gallicchio E.

J Comput Aided Mol Des. 2017 Jan;31(1):29-44. doi: 10.1007/s10822-016-9956-6. Epub 2016 Sep 30. Erratum in: J Comput Aided Mol Des. 2017 Jan;31(1):45.

7.

Synthesis and evaluation of C9 alkoxy analogues of (-)-stepholidine as dopamine receptor ligands.

Madapa S, Gadhiya S, Kurtzman T, Alberts IL, Ramsey S, Reith M, Harding WW.

Eur J Med Chem. 2017 Jan 5;125:255-268. doi: 10.1016/j.ejmech.2016.09.036. Epub 2016 Sep 14.

8.

Solvation thermodynamic mapping of molecular surfaces in AmberTools: GIST.

Ramsey S, Nguyen C, Salomon-Ferrer R, Walker RC, Gilson MK, Kurtzman T.

J Comput Chem. 2016 Aug 5;37(21):2029-37. doi: 10.1002/jcc.24417. Epub 2016 Jun 18.

9.

Enthalpic Breakdown of Water Structure on Protein Active-Site Surfaces.

Haider K, Wickstrom L, Ramsey S, Gilson MK, Kurtzman T.

J Phys Chem B. 2016 Sep 1;120(34):8743-56. doi: 10.1021/acs.jpcb.6b01094. Epub 2016 Jun 2.

10.

Tetrahydroprotoberberine alkaloids with dopamine and σ receptor affinity.

Gadhiya S, Madapa S, Kurtzman T, Alberts IL, Ramsey S, Pillarsetty NK, Kalidindi T, Harding WW.

Bioorg Med Chem. 2016 May 1;24(9):2060-71. doi: 10.1016/j.bmc.2016.03.037. Epub 2016 Mar 21.

11.

Spatial Decomposition of Translational Water-Water Correlation Entropy in Binding Pockets.

Nguyen CN, Kurtzman T, Gilson MK.

J Chem Theory Comput. 2016 Jan 12;12(1):414-29. doi: 10.1021/acs.jctc.5b00939. Epub 2015 Dec 4.

12.

Estimation of Solvation Entropy and Enthalpy via Analysis of Water Oxygen-Hydrogen Correlations.

Velez-Vega C, McKay DJ, Kurtzman T, Aravamuthan V, Pearlstein RA, Duca JS.

J Chem Theory Comput. 2015 Nov 10;11(11):5090-102. doi: 10.1021/acs.jctc.5b00439. Epub 2015 Oct 21.

13.

Parameterization of an effective potential for protein-ligand binding from host-guest affinity data.

Wickstrom L, Deng N, He P, Mentes A, Nguyen C, Gilson MK, Kurtzman T, Gallicchio E, Levy RM.

J Mol Recognit. 2016 Jan;29(1):10-21. doi: 10.1002/jmr.2489. Epub 2015 Aug 10.

14.

Thermodynamics of Water in an Enzyme Active Site: Grid-Based Hydration Analysis of Coagulation Factor Xa.

Nguyen CN, Cruz A, Gilson MK, Kurtzman T.

J Chem Theory Comput. 2014 Jul 8;10(7):2769-2780. Epub 2014 Apr 3.

15.

Successful use of neostigmine in a patient with refractory distal intestinal obstruction syndrome.

Kurtzman TL, Borowitz SM.

J Pediatr Gastroenterol Nutr. 2002 Nov;35(5):700-3. No abstract available.

PMID:
12454590
16.

Inhalant abuse by adolescents.

Kurtzman TL, Otsuka KN, Wahl RA.

J Adolesc Health. 2001 Mar;28(3):170-80. Review.

PMID:
11226839

Supplemental Content

Loading ...
Support Center