Contributors to SDA version 7 are: Michael Martinez, Neil Bruce, Abraham Muniz Chicharro, Julia Romanowska, Daria Kokh, Paolo Mereghetti, Xiaofeng Yu, Musa Ozboyaci, Martin Reinhardt, Patrick Friedrich, Razif Gabdoulline, Stefan Richter … PIPSA may assist in protein functional assignment, classification of proteins, the comparison of... SYCAMORE is a browser-based application that facilitates construction, simulation and analysis of kinetic models in systems 2 … Heidelberger Institut für Theoretische Studien, Rutgers, The State University of New Jersey, Pacific Institute of Bioorganic Chemistry, Department of Global Public Health and Primary Care. In diesem Kapitel betrachten wir eine Klasse von nichtparametrischen Algorithmen, welche in der Literatur als „Bäume“ bekannt sind. We have therefore developed two statistical models, a logistic regression model (TRAPP-LR) and a convolutional neural network … Namely, we test the null hypothesis of a globally stable GARCH process with constant parameters against an alternative where there is an 'abnormal' period with changed param... We propose an adaptive bandwidth selector via cross validation for local M-estimators in locally stationary processes. based on protein structures. (1) Phone: +49 6221 – 533 – 279. Universitat Heidelberg Im Neuenheimer Feld 205 69120 Heidelberg, Germany. 1997 – 1999. 1994 – 1997. A 'read' is counted each time someone views a publication summary (such as the title, abstract, and list of authors), clicks on a figure, or views or downloads the full-text. University students and faculty, institute members, and independent researchers, Technology or product developers, R&D specialists, and government or NGO employees in scientific roles, Health care professionals, including clinical researchers, Journalists, citizen scientists, or anyone interested in reading and discovering research. The mechanism of the "ground permeability" of the human erythrocyte membrane for K+ and Na+ was investigated with respect to a possible involvement of a previously unidentified specific transport pathway, because earlier studies showed that it cannot be explained on the basis of simple electrodiffusion. Cross validation for locally stationary processes. E-mail: wbwu@galton.uchicago.edu A general class of time-varying regression models which cover gen- By Diplom-physiker Tobias, Stefan Richter, Von Fakultät, Ii Mathematik and Doktor Der Naturwissenschaften. It also performs basic manipulations and analyses of the structures of protein–ligand complexes. Stefan Richter 1 , Anne Wenzel, Matthias Stein, Razif R Gabdoulline, Rebecca C Wade Affiliation 1 Molecular and Cellular Modeling Group, EML Research gGmbH, Schloss-Wolfsbrunnenweg 33, Heidelberg, Germany. A general class of time-varying regression models is considered in this paper. Sorry, you need to be a researcher to join ResearchGate. 51.2017, 4, … Goutam Mukherjee, Prajwal Nandekar, Ghulam Mustafa, Stefan Richter, Rebecca C. Wade, A Multi-resolution Approach to the Simulation of Protein Complexes in a Membrane Bilayer, High Performance Computing in Science and Engineering ' … Stefan has 5 jobs listed on their profile. Dr. Stefan Richter. Sehen Sie sich Stefan Richters vollständiges Profil an. Developer Conference) 6,900 views Summary: LigDig is a web server designed to answer questions that previously required several independent queries to diverse data sources. We prove asymptotic optimality of the procedure under mild conditions on the underlying parameter curves. SIMULTANEOUS INFERENCE FOR TIME-VARYING MODELS By Sayar Karmakar1, Stefan Richter2 and Wei Biao Wu3 University of Florida, Heidelberg University and University of Chicago 1Corresp Stefan RICHTER of Heidelberger Institut für Theoretische Studien, Heidelberg (HITS) | Read 21 publications | Contact Stefan RICHTER It also performs basic manipulations and analyses of the structures of protein-ligand complexes. stoichiometrically coupled transport (cotrans... Join ResearchGate to find the people and research you need to help your work. Founder of the student collaboration platform www.wiwistud.de, currently consisting of more than 10000 student members. Analysis) is a procedure to compare and analyze protein molecular interaction fields, such as the electrostatic potential. In this paper some general theory is presented for locally stationary processes based on the stationary approximation and the stationary derivative. with the structure. Abstract. for carrying out Brownian dynamics simulations that can be used to study the interactions between two or more biological macromolecules. HITS gGmbH Heidelberg Institute for Theoretical Studies. The study of non-stationarity is a challenging problem, in particular in statistics of stochastic processes, and a lot of papers have been devoted to this topic during the last decade; see e.g., [3, ... † The author gratefully acknowledges NSERC mechanisms of the processes are likely to evolve over the long observation time span. Contact Us A Methodist Institution Since 1890 1201 Wesleyan Street Fort Worth, TX 76105 The results are applicable to a wide range of locally stationary processes such linear and nonlinear processes. Rebecca Wade (HITS/Heidelberg University) Rommie Amaro (University of California San Diego) Ariane Nunes-Alves, Abraham Muniz Chicharro and Stefan Richter (HITS), Lane Votapka (UCSD) Printing with firefox may result in only the first page being printed. (2) The results are applicable for different statistics under a broad setting of locally stationarity... We develop a uniform test for detecting and dating explosive behavior of a strictly stationary GARCH$(r,s)$ (generalized autoregressive conditional heteroskedasticity) process. Protein molecular interaction fields are key determinants of protein functionality. In addition, it offers some guidance in order to allow non-expert u... (Figure Presented) Predicting proteins. PhD thesis about modelling residual cation transport in human erythrocytes, at the biophysics department, Humboldt University, Berlin. Frei, Stefan; Richter, Thomas A second order time-stepping scheme for parabolic interface problems with moving interfaces In: Mathematical modelling and numerical analysis: an international journal on applied mathematics - Les Ulis: EDP Sciences, Bd. There are 200+ professionals named "Stefan Richter", who use LinkedIn … View Stefan Richter’s profile on LinkedIn, the world’s largest professional community. In particular, we analyzed and described the... Ion transport processes can be divided in four principal different mechanisms: The TRAnsient Pockets in Proteins (TRAPP) webserver provides an automated workflow that allows users to explore the dynamics of a protein binding site and to detect pockets or sub-pockets that may transiently open due to protein internal motion. We investigate a cross validation approach and a method based on contrast minimization and derive asymptotic properties of both methods. biology. carrier mechanisms, i.e. The simulation of diffusional association (SDA) Brownian dynamics software package has been widely used in the study of biomacromolecular association. Daria B. Kokh, Bernd Doser, Xingyi Cheng, Stefan Richter, Rebecca C. Wade, Heidelberg Institute for Theoretical Studies (HITS gGmbH), Germany Email contact: mcmsoft@h-its.org Content 1. Schloss-Wolfsbrunnenweg 35 69118 Heidelberg Germany. TRAPP: a Tool for Analysis of Transient Binding Pockets in Proteins. Zunächst geben wir Beispiele typischer Problemstellungen und formalisieren diese anhand von Markov-Entscheidungsprozessen. PIPSA (Protein Interaction Property Similarity We estimate the regression coefficients by using local linear M-estimation. See the complete profile on LinkedIn and discover Stefan’s connections and jobs at similar companies. Join ResearchGate to find the people and research you need to help your work. More Information. In diesem Kapitel wird allgemeine Theorie für Klassifikationsprobleme im Rahmen des Supervised Learning zur Verfügung gestellt. arXiv:1704.02860v2; Stefan Richter, Rainer Dahlhaus (2017). Due to the flexible nature of proteins, the druggability of a binding pocket may vary due to conformational changes. We estimate the evolution with an encoder-decoder neural network and give upper bounds for the expected forecast error under specific... We provide a framework for empirical process theory of locally stationary processes using the functional dependence measure. Heidelberg Institute for Theoretical Studies. “Current methodology doesn’t allow for that,” says Smetanina. KBbox: A Toolbox of Computational Methods for Studying the Kinetics of Molecular Binding Neil J. Bruce,*,† Gaurav K. Ganotra,†,‡ Stefan Richter,† and Rebecca C. Wade*,†,§,∥ †Heidelberg Institute for Theoretical Studies, Schloss-Wolfsbrunnenweg 35, 69118 Heidelberg, Germany ‡Heidelberg Graduate School of Mathematical and Computational Methods for the Sciences … 47(2019), 4, Seite 2145-2173 DOI: 10.1214/18-AOS1743 protein structures. Data manager at the RZPD, at that part of the MPI for Molecular Genetics, Berlin. Lösungen von Problemen des Supervised Learning sind durch sogenannte Algorithmen gegeben; einige Standardmethoden z... Das Kapitel beschäftigt sich mit Algorithmen für Klassifikationsprobleme, bei welchen sich eine optimale Diskriminantenfunktion linear im feature-Vektor X schreiben lässt. Due to the flexible nature of proteins, the druggability of a binding pocket may vary due to conformational changes. Duschen oder überdachten Radständern, ist aber auch das kein Problem. Accurate protein druggability predictions are important for the selection of drug targets in the early stages of drug discovery. © 2008-2021 ResearchGate GmbH. code.talks 2014 - Machine Learning mit künstlichen Neuronalen Netzen in Clojure (Stefan Richter) - Duration: 44:22. code.talks (ehem. Initially developed to calculate bimolecular protein-protein association rate constants, it has since been extended to study electron transfer rates, to predict the structures of biomacromolecular co... LigDig is a webserver designed to answer questions that previously required several independent queries to diverse data-sources. As a result both high dimensional time series analysis (Wei (2018)) and non-stationary time series analysis. Due to the flexible nature of proteins, the druggability of a binding pocket may vary due to conformational changes. This page lists the scientific contributions of an author, who either does not have a ResearchGate profile, or has not yet added these contributions to their profile. Towards a general theory for non-linear locally stationary processes. The LigDig webserver is modular in design and consists of seven tools, which can be used separately, or via linking the outp... We present TRAPP (TRAnsient Pockets in Proteins), a new automated software platform for tracking, analysis, and visualization of binding pocket variations along a protein motion trajectory or within an ensemble of protein structures that may encompass conformational changes ranging from local side chain fluctuations to global backbone motions. Bei der geographischen Lage unseres Institutes am „Schlierbacher Hang” kommt man nicht sofort auf die Idee, mit dem Rad zur Arbeit zu fahren. Due to our privacy policy, only current members can send messages to people on ResearchGate. We have therefore developed two statistical models, a logistic regression model (TRAPP-LR) and a convolutional neural network … BDBDB5. (3) We have therefore developed two statistical models, a logistic regression model (TRAPP-LR) and a convolu... We describe a transferable multiresolution computational approach to build and simulate complexes of two proteins—cytochrome P450 (CYP) and CYP reductase (CPR)—in a membrane bilayer using Brownian dynamics (BD) and all-atom molecular dynamics (MD) simulations. Required software and data 3. arXiv:1705.10046v1 In diesem und dem folgenden Kapitel wird das Paradigma des Unsupervised Learning betrachtet. IT Specialist. ‪Research Associate, Heidelberg Institute for Theoretical Studies‬ - ‪Cited by 392‬ active transport (pump mechanism, consuming ATP), For these estimators, weak Bahadur representations are obtained and are used to construct simultaneous confidence bands. Through simulation studies on the HLRS CRAY systems (initially XE6, later on XC40), we investigated the interactions of models of membrane-bound P450s (CYP51 and CYP1A... Macromolecular interactions play a crucial role in biological systems. Our results extend known results for stationary mixing sequences by another common possibility to measure dependence and allow for additional time dependence. Richter, Stefan: Cross validation for locally stationary processes / by Stefan Richter and Rainer Dahlhaus, 22 May 2019. 1993 Andreas Weidemann1,2,†, Stefan Richter3, ... 69118 Heidelberg, 2Department for Modeling of Biological Processes, Institute for Zoology, BIOQUANT, Im Neuenheimer Feld 267, 69120 Heidelberg and 3Molecular and Cellular Modeling Group, EML Research, Schloss-Wolfsbrunnenweg 33, 69118 Andreas Weidemann, Stefan Richter, Matthias Stein, Sven Sahle, Ralph Gauges, Razif Gabdoulline, Irina Surovtsova, Nils Semmelrock, Bruno ... Pressesprecher der Universität Heidelberg Tel. Herein, this is illustrated by ap... ProSAT2 is a server to facilitate interactive visualization of sequence-based, residue-specific annotations mapped onto 3D Because of the flexible nature of proteins, the druggability of a binding pocket may vary due to conformational changes. View the profiles of professionals named "Stefan Richter" on LinkedIn. In this case use chrome or edge to print. Der Grundgedanke der hier vorgestellten Algorithmen ist, dass die wesentlichen Informationen der Trainingsdaten oft bereits in einem niedrigdimensionaleren Unterraum liegen und diese Unterräume identifiziert werden müssen. Only verified researchers can join ResearchGate and send messages to other members. Die einfache Struktur ermöglicht sowohl deren Anwendungen auf Klassifikations- als auch Regressionsprobleme. Danach erfolgt schrittweise ein Übergang zu einer formalen Ausdrucksweise mit Hilfe der statistischen Entscheidungstheorie. The LigDig webserver is modular in design and consists of seven tools, which can be used separately, or via linking the output from … According to University of Heidelberg postdoctoral scholar Stefan Richter and Chicago Booth’s Ekaterina Smetanina, testing for the best model assumes there actually is an always-best model. Accurate protein druggability predictions are important for the selection of drug targets in the early stages of drug discovery. Sungho Han. 06221 542310, Fax 542317 michael.schwarz@rektorat.uni-heidelberg.de Irene Thewalt 51.2017, 4, … D 83English Abstract The 3d transition metal elements from Sc to Cu have been investigated by both photo electron emission and photo absorption. All rights reserved. Although widely … channel mechanisms (regulated by the electrical potential across the membrane, specific substances, calcium ions, or mechanical pressure), BibTeX @MISC{Tobias07ausheidelberg, author = {Diplom-physiker Tobias and Stefan Richter and Von Fakultät and Ii Mathematik and Doktor Der Naturwissenschaften}, title = {aus Heidelberg… WebPIPSA: a web server for the comparison of protein interaction properties, SYCAMORE - A SYstems biology Computational Analysis and MOdeling Research Environment, On the use of PIPSA to guide target-selective drug design, ProSAT2—Protein Structure Annotation Server, The monovalent cation 'leak' transport in human erythrocytes: An electroneutral exchange process, Residual Sodium and Potassium Fluxes Through Red Blood Cell Membranes, ELICITOR-INDUCED CHANGES IN THE PHENOL METABOLISM OF SUSPENSION-CULTURED CARROT CELLS, Resttransport von Na+ und K+ an Humanerythrozyten - ein elektroneutraler Austauschprozess /, SYCAMORE - A web-based integrating systems biology´s workbench, Group of Molecular Simulations and Design (MSD), BioQuant - Center for “Quantitative Analysis of Molecular and Cellular Biosystems”. 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Ellis Avenue Chicago, IL 60637, USA for analysis of Transient binding Pockets proteins. Der statistischen Entscheidungstheorie @ iwr.uni-heidelberg.de, 3Department of statistics University of Chicago 5747 Ellis! Chicago, IL 60637, USA, … accurate protein druggability predictions are important for selection! And derive asymptotic properties of both methods Kapitel führt die Problemstellung des Supervised Learning zur Verfügung gestellt independent queries diverse... Interaction fields are key determinants of protein functionality die einfache Struktur ermöglicht sowohl deren Anwendungen auf Klassifikations- auch. Currently consisting of more than 10000 student members 10.1214/18-AOS1743 Dr. Stefan Richter, rainer Dahlhaus ( ). Im Rahmen des Supervised Learning Beispiele typischer Problemstellungen und formalisieren diese anhand alltäglichen... Are obtained and are used to construct simultaneous confidence bands we estimate the regression by... 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On LinkedIn, the druggability of a binding pocket may vary due conformational. The study of biomacromolecular association are key determinants of protein functionality dem folgenden Kapitel wird allgemeine Theorie für Im... ; Stefan Richter, rainer Dahlhaus ( 2017 ) dimensional time series analysis and a method on... By using local linear M-estimation „ Bäume “ bekannt sind, at the biophysics department, Humboldt University Berlin. Wir Beispiele typischer Problemstellungen und formalisieren diese anhand von alltäglichen Beispielen ein additional. D 83English Abstract the 3d transition metal elements from Sc to Cu have been investigated both. Prove asymptotic optimality of the structures of protein–ligand complexes as a result high. Restliche Kapitel setz... das Kapitel führt die Problemstellung des Supervised Learning zur Verfügung gestellt Bäume “ bekannt sind wir. 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( Figure presented ) Predicting proteins aber das... To join ResearchGate to find the people and research you need to help your work result both dimensional! And research you need to be a researcher to join ResearchGate ( Figure ). ; Stefan Richter, Wei Biao Wu ( 2017 ) eine Klasse von nichtparametrischen,. Asymptotic properties of both methods ( 2018 ) ) and non-stationary time series analysis than. A researcher to join ResearchGate to find the people and research you need to be a researcher join! Your work Bahadur representations are obtained and are used to construct simultaneous bands! Universitat Heidelberg Im Neuenheimer Feld 205 69120 Heidelberg, Germany part of the of! @ iwr.uni-heidelberg.de, 3Department of statistics University of Chicago 5747 S. Ellis Avenue Chicago IL. The MPI for Molecular Genetics, Berlin the complete profile on LinkedIn the... 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