A5086872293- Spectroscopy and Quantum Chemical Studies
- Rheumatoid Arthritis Research and Therapies
- Chemical Synthesis and Analysis
- Protein Structure and Dynamics
- Advanced Chemical Physics Studies
- Statistical Methods in Clinical Trials
- Estrogen and related hormone effects
- Advanced Multi-Objective Optimization Algorithms
- Optimal Experimental Design Methods
- Chronic Lymphocytic Leukemia Research
- Monoclonal and Polyclonal Antibodies Research
- Heat shock proteins research
- Clusterin in disease pathology
- Receptor Mechanisms and Signaling
- Machine Learning in Bioinformatics
Compugen (Israel)
2009-2013
Blocking conformational changes in biologically active proteins holds therapeutic promise. Inspired by the susceptibility of viral entry to inhibition synthetic peptides that block formation helix–helix interactions envelope proteins, we developed a computational approach for predicting interacting helices. Using this approach, which combines correlated mutations analysis and Fourier transform, designed target gp96 clusterin, 2 secreted chaperones known shift between inactive conformations....
TNFα inhibitor therapy has greatly improved the treatment of patients with rheumatoid arthritis, however at least 30% do not respond. We aimed to investigate insertions and deletions (INDELS) associated response inhibitors in arthritis (RA).In DANBIO Registry we identified 237 naïve RA (81% women; median age 56 years; disease duration 6 years) who initiated infliximab (n=160), adalimumab (n=56) or etanercept (n=21) between 1999 2008 according national guidelines. Clinical was assessed week...
Target-oriented substructure-based virtual screening (sSBVS) of molecules is a promising approach in drug discovery. Yet, there are doubts whether sSBVS suitable also for extrapolation, that is, detecting very different from those used training. Herein, we evaluate the predictive power classic methods, namely, similarity searching using Tanimoto coefficient (MTC) and Naive Bayes (NB). As could be expected, these methods perform better interpolation than extrapolation tasks. Consequently, to...
Molecular dynamic simulations are used for investigating various aspects of biological processes. Such often require intensive computer power; therefore several solutions were developed to minimize the power needed, including usage elevated temperatures. Yet, such still not commonly by wide scientific community chemists and biochemists. For about two years now, molecular suite GROMACS enables conducting using implicit solvent models further decrease runtimes. In order quantify saving in...