35 articles for A Caflisch
The following articles (labelled with PubMed ID or TBD) are for your review
PMID
Cmpds
Data
Article Title
Organization
16
Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
University of Z£Rich
13
The"Gatekeeper" Residue Influences the Mode of Binding of Acetyl Indoles to Bromodomains.
University of Z£Rich
1
Three stories on Eph kinase inhibitors: From in silico discovery to in vivo validation.
University of Z£Rich
7
Discovery of CREBBP Bromodomain Inhibitors by High-Throughput Docking and Hit Optimization Guided by Molecular Dynamics.
University of Z£Rich
21
Fragment-Based Design of Selective Nanomolar Ligands of the CREBBP Bromodomain.
University of Z£Rich
16
Pyrrolo[3,2-b]quinoxaline derivatives as types I1/2 and II Eph tyrosine kinase inhibitors: structure-based design, synthesis, and in vivo validation.
University of Z£Rich
1
Current kinase inhibitors cover a tiny fraction of fragment space.
University of Zurich
1
Structural Analysis of the Binding of Type I, I1/2, and II Inhibitors to Eph Tyrosine Kinases.
University of Zurich
2
Discovery of BRD4 bromodomain inhibitors by fragment-based high-throughput docking.
University of Zurich
3
Discovery of dual ZAP70 and Syk kinases inhibitors by docking into a rare C-helix-out conformation of Syk.
University of Zurich
7
Discovery of ZAP70 inhibitors by high-throughput docking into a conformation of its kinase domain generated by molecular dynamics.
University of Zurich
10
Optimization of inhibitors of the tyrosine kinase EphB4. 2. Cellular potency improvement and binding mode validation by X-ray crystallography.
University of Zurich
4
Discovery of a novel chemotype of tyrosine kinase inhibitors by fragment-based docking and molecular dynamics.
TBA
352
Discovery of kinase inhibitors by high-throughput docking and scoring based on a transferable linear interaction energy model.
University of Zurich
4
Multiple copy simultaneous search and construction of ligands in binding sites: application to inhibitors of HIV-1 aspartic proteinase.
Harvard University
21
Structure-based optimization of potent and selective inhibitors of the tyrosine kinase erythropoietin producing human hepatocellular carcinoma receptor B4 (EphB4).
University of Zurich
59
Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing.
University of Trento
4
Discovery of cell-permeable non-peptide inhibitors of beta-secretase by high-throughput docking and continuum electrostatics calculations.
University of ZüRich
37
Efficient evaluation of binding free energy using continuum electrostatics solvation.
University of ZüRich
23
1,4,9-Triazaspiro[5.5]undecan-2-one Derivatives as Potent and Selective METTL3 Inhibitors.
University of Zurich
5
Derivatives of 3-Amino-2-methylpyridine as BAZ2B Bromodomain Ligands: In Silico Discovery and in Crystallo Validation.
University of Z£Rich
18
Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.
University of Zurich
5
Is quantum mechanics necessary for predicting binding free energy?
University of Z£Rich
59
Structure-based discovery of selective BRPF1 bromodomain inhibitors.
University of Zurich
12
Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
University of Zurich
2
Virtual screen to NMR (VS2NMR): Discovery of fragment hits for the CBP bromodomain.
University of Z£Rich
315
Substituted bicyclic compounds useful as T cell activators
Bristol Myers Squibb
5
Ultrahigh resolution crystal structures of human carbonic anhydrases I and II complexed with "two-prong" inhibitors reveal the molecular basis of high affinity.
University of Pennsylvania