Format
Sort by
Items per page

Send to

Choose Destination

Links from PubMed

Items: 1 to 20 of 127

2.

Flexibases: a way to enhance the use of molecular docking methods.

Kearsley SK, Underwood DJ, Sheridan RP, Miller MD.

J Comput Aided Mol Des. 1994 Oct;8(5):565-82.

PMID:
7876901
3.

FlexE: efficient molecular docking considering protein structure variations.

Claussen H, Buning C, Rarey M, Lengauer T.

J Mol Biol. 2001 Apr 27;308(2):377-95.

PMID:
11327774
4.

Protein flexibility and species specificity in structure-based drug discovery: dihydrofolate reductase as a test system.

Bowman AL, Lerner MG, Carlson HA.

J Am Chem Soc. 2007 Mar 28;129(12):3634-40. Epub 2007 Mar 3.

PMID:
17335207
5.

FLOG: a system to select 'quasi-flexible' ligands complementary to a receptor of known three-dimensional structure.

Miller MD, Kearsley SK, Underwood DJ, Sheridan RP.

J Comput Aided Mol Des. 1994 Apr;8(2):153-74.

PMID:
8064332
6.

Effects of variable selection on CoMFA coefficient contour maps in a set of triazines inhibiting DHFR.

Greco G, Novellino E, Pellecchia M, Silipo C, Vittoria A.

J Comput Aided Mol Des. 1994 Apr;8(2):97-112.

PMID:
8064336
7.

Lead discovery of inhibitors of the dihydrofolate reductase domain of Plasmodium falciparum dihydrofolate reductase-thymidylate synthase.

Toyoda T, Brobey RK, Sano G, Horii T, Tomioka N, Itai A.

Biochem Biophys Res Commun. 1997 Jun 27;235(3):515-9.

PMID:
9207187
8.
9.

In silico screening against wild-type and mutant Plasmodium falciparum dihydrofolate reductase.

Fogel GB, Cheung M, Pittman E, Hecht D.

J Mol Graph Model. 2008 Apr;26(7):1145-52. Epub 2007 Oct 18.

PMID:
18037315
10.

A 2.13 A structure of E. coli dihydrofolate reductase bound to a novel competitive inhibitor reveals a new binding surface involving the M20 loop region.

Summerfield RL, Daigle DM, Mayer S, Mallik D, Hughes DW, Jackson SG, Sulek M, Organ MG, Brown ED, Junop MS.

J Med Chem. 2006 Nov 30;49(24):6977-86.

PMID:
17125251
11.

Structural studies on bioactive compounds. 30. Crystal structure and molecular modeling studies on the Pneumocystis carinii dihydrofolate reductase cofactor complex with TAB, a highly selective antifolate.

Cody V, Chan D, Galitsky N, Rak D, Luft JR, Pangborn W, Queener SF, Laughton CA, Stevens MF.

Biochemistry. 2000 Apr 4;39(13):3556-64.

PMID:
10736154
12.

Structure-based approach to pharmacophore identification, in silico screening, and three-dimensional quantitative structure-activity relationship studies for inhibitors of Trypanosoma cruzi dihydrofolate reductase function.

Schormann N, Senkovich O, Walker K, Wright DL, Anderson AC, Rosowsky A, Ananthan S, Shinkre B, Velu S, Chattopadhyay D.

Proteins. 2008 Dec;73(4):889-901. doi: 10.1002/prot.22115.

PMID:
18536013
13.
14.

PRO_LIGAND: an approach to de novo molecular design. 6. Flexible fitting in the design of peptides.

Murray CW, Clark DE, Byrne DG.

J Comput Aided Mol Des. 1995 Oct;9(5):381-95.

PMID:
8594156
15.

The crystal structure of dihydrofolate reductase from Thermotoga maritima: molecular features of thermostability.

Dams T, Auerbach G, Bader G, Jacob U, Ploom T, Huber R, Jaenicke R.

J Mol Biol. 2000 Mar 31;297(3):659-72.

PMID:
10731419
16.
17.

Structures of dihydrofolate reductase-thymidylate synthase of Trypanosoma cruzi in the folate-free state and in complex with two antifolate drugs, trimetrexate and methotrexate.

Senkovich O, Schormann N, Chattopadhyay D.

Acta Crystallogr D Biol Crystallogr. 2009 Jul;65(Pt 7):704-16. doi: 10.1107/S090744490901230X. Epub 2009 Jun 20.

PMID:
19564691
19.

PRO-LIGAND: an approach to de novo molecular design. 1. Application to the design of organic molecules.

Clark DE, Frenkel D, Levy SA, Li J, Murray CW, Robson B, Waszkowycz B, Westhead DR.

J Comput Aided Mol Des. 1995 Feb;9(1):13-32.

PMID:
7751867
20.

A genetic algorithm for the automated generation of molecules within constraints.

Glen RC, Payne AW.

J Comput Aided Mol Des. 1995 Apr;9(2):181-202.

PMID:
7608749

Supplemental Content

Support Center