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1.
Functionalization of 2,4-Dichloropyrimidines by 2,2,6,6-Tetramethylpiperidyl Zinc Base Enables Modular Synthesis of Antimalarial Diaminopyrimidine P218 and Analogues.
J Org Chem
; 88(13): 9475-9487, 2023 07 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-37290116
2.
Dihedral Angle-Based Sampling of Natural Product Polyketide Conformations: Application to Permeability Prediction.
J Chem Inf Model
; 56(11): 2194-2206, 2016 11 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-27731994
3.
Oxidative metabolism of a quinoxaline derivative by xanthine oxidase in rodent plasma.
Chem Res Toxicol
; 24(12): 2207-16, 2011 Dec 19.
Artículo
en Inglés
| MEDLINE | ID: mdl-21939274
4.
Structural comparison of chromosomal and exogenous dihydrofolate reductase from Staphylococcus aureus in complex with the potent inhibitor trimethoprim.
Proteins
; 76(3): 706-17, 2009 Aug 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-19280600
5.
Design and Synthesis of Clinical Candidate PF-06751979: A Potent, Brain Penetrant, ß-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitor Lacking Hypopigmentation.
J Med Chem
; 61(10): 4476-4504, 2018 05 24.
Artículo
en Inglés
| MEDLINE | ID: mdl-29613789
6.
From docking false-positive to active anti-HIV agent.
J Med Chem
; 50(22): 5324-9, 2007 Nov 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-17918923
7.
Aminomethyl-Derived Beta Secretase (BACE1) Inhibitors: Engaging Gly230 without an Anilide Functionality.
J Med Chem
; 60(1): 386-402, 2017 01 12.
Artículo
en Inglés
| MEDLINE | ID: mdl-27997172
8.
Discovery and Characterization of (R)-6-Neopentyl-2-(pyridin-2-ylmethoxy)-6,7-dihydropyrimido[2,1-c][1,4]oxazin-4(9H)-one (PF-06462894), an Alkyne-Lacking Metabotropic Glutamate Receptor 5 Negative Allosteric Modulator Profiled in both Rat and Nonhuman Primates.
J Med Chem
; 60(18): 7764-7780, 2017 09 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-28817277
9.
Discovery of a series of efficient, centrally efficacious BACE1 inhibitors through structure-based drug design.
J Med Chem
; 58(6): 2678-702, 2015 Mar 26.
Artículo
en Inglés
| MEDLINE | ID: mdl-25695670
10.
Utilizing structures of CYP2D6 and BACE1 complexes to reduce risk of drug-drug interactions with a novel series of centrally efficacious BACE1 inhibitors.
J Med Chem
; 58(7): 3223-52, 2015 Apr 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-25781223
11.
Investigation of the induced-fit mechanism and catalytic activity of the human cytomegalovirus protease homodimer via molecular dynamics simulations.
Proteins
; 52(4): 483-91, 2003 Sep 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-12910449
12.
Discovery and preclinical characterization of 1-methyl-3-(4-methylpyridin-3-yl)-6-(pyridin-2-ylmethoxy)-1H-pyrazolo-[3,4-b]pyrazine (PF470): a highly potent, selective, and efficacious metabotropic glutamate receptor 5 (mGluR5) negative allosteric modulator.
J Med Chem
; 57(3): 861-77, 2014 Feb 13.
Artículo
en Inglés
| MEDLINE | ID: mdl-24392688
13.
Spirocyclic sulfamides as ß-secretase 1 (BACE-1) inhibitors for the treatment of Alzheimer's disease: utilization of structure based drug design, WaterMap, and CNS penetration studies to identify centrally efficacious inhibitors.
J Med Chem
; 55(21): 9224-39, 2012 Nov 08.
Artículo
en Inglés
| MEDLINE | ID: mdl-22984865
14.
Cofilin is a pH sensor for actin free barbed end formation: role of phosphoinositide binding.
J Cell Biol
; 183(5): 865-79, 2008 Dec 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-19029335
15.
Human Cytomegalovirus Protease: Why is the Dimer Required for Catalytic Activity?
J Chem Theory Comput
; 3(1): 278-88, 2007 Jan.
Artículo
en Inglés
| MEDLINE | ID: mdl-26627171
16.
Search for non-nucleoside inhibitors of HIV-1 reverse transcriptase using chemical similarity, molecular docking, and MM-GB/SA scoring.
J Chem Inf Model
; 47(6): 2416-28, 2007.
Artículo
en Inglés
| MEDLINE | ID: mdl-17949071
17.
Molecular dynamics simulations of DNA curvature and flexibility: helix phasing and premelting.
Biopolymers
; 73(3): 380-403, 2004 Feb 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-14755574
18.
Potential of mean force calculations on an L-type calcium channel model.
Protein Eng
; 16(3): 209-15, 2003 Mar.
Artículo
en Inglés
| MEDLINE | ID: mdl-12702801
19.
A molecular dynamics study of an L-type calcium channel model.
Protein Eng
; 15(2): 109-22, 2002 Feb.
Artículo
en Inglés
| MEDLINE | ID: mdl-11917147
20.
Molecular dynamics simulations of the 136 unique tetranucleotide sequences of DNA oligonucleotides. I. Research design and results on d(CpG) steps.
Biophys J
; 87(6): 3799-813, 2004 Dec.
Artículo
en Inglés
| MEDLINE | ID: mdl-15326025
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