Bernhard Knapp

发表

In silico structural modeling of multiple epigenetic marks on DNA

Charlotte M. Deane, Konrad Krawczyk, Samuel Demharter, 2018, Bioinform..

Gro2mat: A package to efficiently read gromacs output in MATLAB

Charlotte M. Deane, Bernhard Knapp, Hung Dien, 2014, J. Comput. Chem..

Ten Simple Rules for a Successful Cross-Disciplinary Collaboration

Alexander G. Fletcher, Charlotte M. Deane, David Gavaghan, 2015, PLoS Comput. Biol..

Tertiary Element Interaction in HIV-1 TAR

Charlotte M. Deane, Konrad Krawczyk, Bernhard Knapp, 2016, J. Chem. Inf. Model..

A critical cross-validation of high throughput structural binding prediction methods for pMHC

Bernhard Knapp, Wolfgang Schreiner, Ulrich Omasits, 2009, J. Comput. Aided Mol. Des..

pyHVis3D: visualising molecular simulation deduced H-bond networks in 3D: application to T-cell receptor interactions

Charlotte M. Deane, Hao Zhang, Bernhard Knapp, 2018, Bioinform..

MHC binding affects the dynamics of different T-cell receptors in different ways

Charlotte M. Deane, Bernhard Knapp, Omer Dushek, 2019, PLoS Comput. Biol..

Modeling Functional Motions of Biological Systems by Customized Natural Moves

Samuel Demharter, Bernhard Knapp, Peter Minary, 2016, Biophysical journal.

F/G- High Frequency Combustion Instability Research Program: Results obtained at DLR during Phase 1

Bernhard Knapp, Michael Oschwald, Zoltan Farago, 2006 .

Crowdsourcing Yields a New Standard for Kinks in Protein Helices

Jiye Shi, Charlotte M. Deane, Bernhard Knapp, 2014, J. Chem. Inf. Model..

Verbesserung der Zerstäubung: Luftunterstützte Dralldüse für kleine Brennerleistungen

Bernhard Knapp, Zoltan Farago, 2002 .

Corrigendum: Differential geometric analysis of alterations in MH α‐helices

Bernhard Knapp, Wolfgang Schreiner, Jelena Todoric, 2013, J. Comput. Chem..

jSimMacs for GROMACS: A Java Application for Advanced Molecular Dynamics Simulations with Remote Access Capability

Bernhard Knapp, Wolfgang Schreiner, Ulrich Omasits, 2009, J. Chem. Inf. Model..

Ten simple rules for surviving an interdisciplinary PhD

Charlotte M. Deane, David Gavaghan, Samuel Demharter, 2017, PLoS Comput. Biol..

MH2c: Characterization of major histocompatibility α-helices – an information criterion approach☆

Bernhard Knapp, Wolfgang Schreiner, Florian Frommlet, 2012, Comput. Phys. Commun..

Avoiding False Positive Conclusions in Molecular Simulation: The Importance of Replicas.

Bernhard Knapp, Charlotte M Deane, Luis Ospina, 2018, Journal of chemical theory and computation.

Is an Intuitive Convergence Definition of Molecular Dynamics Simulations Solely Based on the Root Mean Square Deviation Possible?

Bernhard Knapp, Wolfgang Schreiner, Sophie Frantal, 2011, J. Comput. Biol..

vmdICE: A plug‐in for rapid evaluation of molecular dynamics simulations using VMD

Bernhard Knapp, Wolfgang Schreiner, Ulrich Omasits, 2010, J. Comput. Chem..

Acoustic Mode Identification in the CRC

Bernhard Knapp, Michael Oschwald, M. Sliphorst, 2010 .

An artificial intelligence-based first-line defence against COVID-19: digitally screening citizens for risks via a chatbot

Bernhard Knapp, Alistair Martin, Jama Nateqi, 2020 .

Exploring peptide/MHC detachment processes using hierarchical natural move Monte Carlo

Charlotte M. Deane, Samuel Demharter, Bernhard Knapp, 2015, Bioinform..

A device for measuring radiation in combustors

Bernhard Knapp, Michael Oschwald, Stefan Gröning, 2014 .

An introduction into "Docking" and "Molecular Dynamics simulations"

Bernhard Knapp, 2012 .

Differential Geometric Analysis of Alterations in MH α-Helices

Bernhard Knapp, Wolfgang Schreiner, Jelena Todoric, 2013, J. Comput. Chem..

HLA-DM Stabilizes the Empty MHCII Binding Groove: A Model Using Customized Natural Move Monte Carlo

Samuel Demharter, Bernhard Knapp, Peter Minary, 2019, J. Chem. Inf. Model..

Examining Variable Domain Orientations in Antigen Receptors Gives Insight into TCR-Like Antibody Design

Jiye Shi, Charlotte M. Deane, Bernhard Knapp, 2014, PLoS Comput. Biol..

Relaxation Estimation of RMSD in Molecular Dynamics Immunosimulations

Bernhard Knapp, Wolfgang Schreiner, Rudolf Karch, 2012, Comput. Math. Methods Medicine.

Investigation of combustion chamber acoustics and its interaction with LOX/H2 spray flames

Bernhard Knapp, Michael Oschwald, 2009 .

Progress and challenges in predicting protein interfaces

Jean-Christophe Nebel, Charlotte M. Deane, Konrad Krawczyk, 2015, Briefings Bioinform..

An artificial intelligence-based first-line defence against COVID-19: digitally screening citizens for risks via a chatbot

Bernhard Knapp, Alistair Martin, Jama Nateqi, 2020, Scientific reports.

PeptX: Using Genetic Algorithms to optimize peptides for MHC binding

Bernhard Knapp, Wolfgang Schreiner, Verena Giczi, 2011, BMC Bioinformatics.

High frequency combustion instabilities in liquid propellant rocket engines: research programme at DLR Lampoldshausen

Bernhard Knapp, Scott Beinke, Michael Oschwald, 2016 .

T-Cell Receptor Binding Affects the Dynamics of the Peptide/MHC-I Complex

Charlotte M. Deane, Bernhard Knapp, C. Deane, 2016, J. Chem. Inf. Model..

Large Scale Characterization of the LC13 TCR and HLA-B8 Structural Landscape in Reaction to 172 Altered Peptide Ligands: A Molecular Dynamics Simulation Study

Charlotte M. Deane, Bernhard Knapp, James Dunbar, 2014, PLoS Comput. Biol..

Apparatus and method for loading and / or teardown and Maintenance of a needle board

Bernhard Knapp, Guido Herzog, Roberto Rahn, 2011 .

Ten Simple Rules for Effective Computational Research

Alexander G. Fletcher, Charlotte M. Deane, David Gavaghan, 2014, PLoS Comput. Biol..

Current status and future challenges in T-cell receptor/peptide/MHC molecular dynamics simulations

Charlotte M. Deane, Samuel Demharter, Bernhard Knapp, 2015, Briefings Bioinform..

Variable Regions of Antibodies and T-Cell Receptors May Not Be Sufficient in Molecular Simulations Investigating Binding.

Bernhard Knapp, James Dunbar, Charlotte M Deane, 2017, Journal of chemical theory and computation.

Early Relaxation Dynamics in the LC 13 T Cell Receptor in Reaction to 172 Altered Peptide Ligands: A Molecular Dynamics Simulation Study

Georg Dorffner, Bernhard Knapp, G. Dorffner, 2013, PloS one.

Rapid, Precise, and Reproducible Prediction of Peptide-MHC Binding Affinities from Molecular Dynamics That Correlate Well with Experiment.

Charlotte M. Deane, Bernhard Knapp, Peter V. Coveney, 2015, Journal of chemical theory and computation.

Specificities of Human CD4+ T Cell Responses to an Inactivated Flavivirus Vaccine and Infection: Correlation with Structure and Epitope Prediction

Bernhard Knapp, Gottfried Fischer, K. Stiasny, 2014, Journal of Virology.

Association of HLA-DR1 with the allergic response to the major mugwort pollen allergen: molecular background

Bernhard Knapp, Gottfried Fischer, Bernard Maillere, 2012, BMC Immunology.

How peptide/MHC presence affects the dynamics of the LC13 T-cell receptor

Bernhard Knapp, B. Knapp, J. L. Domínguez, 2019, Scientific Reports.