Caflisch,A

Institution: University of Zurich, Switzerland

Top Collaborators: Pellarin R, Friedman R, Huang D, Zhou T, Muff S, Convertino M, Steiner S, Zhao H, Guarnera E, Paoli B, Hamm P, Rennebaum S, Catto M, Scherzer-attali R, Carotti A, Gazit E, Ekonomiuk D, Segal D, Magno A, Lafleur K

Research Interests: Molecular Dynamics, Time, Molecular Dynamics Simulations, Amyloid, Hydrogen, Water, Proteins, Binding Site, Kinase, Screening, Kinetics, ATP, Tyrosine, Disease, Peptides, X-ray, Human, Flexibility, Procedure, Temperature

Publications

Information and abstracts for author publications
Published Date	Impact	Publication
01/21/2010	17.6	Ecology letters The robustness of pollination networks to the loss of species and interactions: a quantitative approach incorporating pollinator behaviour.	Abstract
10/21/2010	9.9	Journal of the American Chemical Society Amyloid fibril polymorphism is under kinetic control.	Abstract
11/26/2009	5.5	Bioinformatics (Oxford, England) Kinase selectivity potential for inhibitors targeting the ATP binding site: a network analysis.	Abstract
01/26/2009	4.7	Journal of chemical information and modeling Data management system for distributed virtual screening.	Abstract
10/14/2011	4	Journal of molecular biology Surfactant effects on amyloid aggregation kinetics.	Abstract
03/26/2009	3.7	The journal of physical chemistry. B Bulky side chains and non-native salt bridges slow down the folding of a cross-linked helical peptide: a combined molecular dynamics and time-resolved infrared spectroscopy study.	Abstract
08/26/2009	3.7	The journal of physical chemistry. B ETNA: equilibrium transitions network and Arrhenius equation for extracting folding kinetics from REMD simulations.	Abstract
02/04/2010	3.7	The journal of physical chemistry. B Slow folding of cross-linked alpha-helical peptides due to steric hindrance.	Abstract
01/31/2013	3.7	The journal of physical chemistry. B Methylations of tryptophan-modified naphthoquinone affect its inhibitory potential toward Aβ aggregation.	Abstract
09/15/2009	3.7	Biophysical journal How does a simplified-sequence protein fold?	Abstract
05/25/2013	3.5	FEBS letters Does bromodomain flexibility influence histone recognition?	Abstract
10/05/2011	3.4	Biochemistry Dynamics in the active site of β-secretase: a network analysis of atomistic simulations.	Abstract
05/15/2012	3.4	Proteins Inhibition of interdomain motion in g-actin by the natural product latrunculin: a molecular dynamics study.	Abstract
07/28/2012	3.4	Proteins Peptide binding to the PDZ3 domain by conformational selection.	Abstract
10/18/2013	3.4	Proteins Wild type and mutants of the HET-s(218-289) prion show different flexibility at fibrillar ends: a simulation study.	Abstract
04/01/2009	3.3	The Journal of chemical physics Identification of the protein folding transition state from molecular dynamics trajectories.	Abstract
09/13/2012	3.2	ChemMedChem Discovery of tyrosine kinase inhibitors by docking into an inactive kinase conformation generated by molecular dynamics.	Abstract
08/05/2009	3.2	ChemMedChem Discovery of plasmepsin inhibitors by fragment-based docking and consensus scoring.	Abstract
07/01/2010	3.2	ChemMedChem High-throughput virtual screening using quantum mechanical probes: discovery of selective kinase inhibitors.	Abstract
04/02/2009	2.8	Protein science : a publication of the Protein Society 9,10-Anthraquinone hinders beta-aggregation: how does a small molecule interfere with Abeta-peptide amyloid fibrillation?	Abstract
04/29/2009	2.8	Protein science : a publication of the Protein Society Activation of the West Nile virus NS3 protease: molecular dynamics evidence for a conformational selection mechanism.	Abstract
08/11/2013	2.6	Bioorganic & medicinal chemistry letters Discovery of ZAP70 inhibitors by high-throughput docking into a conformation of its kinase domain generated by molecular dynamics.	Abstract