@article{UBHD-68448777, author={Bruce, Neil J. and Richter, Stefan and Wade, Rebecca C.}, title={KBbox}, subtitle={a toolbox of computational methods for studying the kinetics of molecular binding}, year={2019}, pages={3630-3634}, language={eng}, issn={1549-960X}, volume={59}, number={9}, note={Gesehen am 31.10.2019}, journal={Journal of chemical information and modeling}, doi={10.1021/acs.jcim.9b00485}, } @article{UBHD-68657812, author={Kokh, Daria B. and Doser, Bernd and Richter, Stefan and Ormersbach, Fabian and Cheng, Xingyi and Wade, Rebecca C.}, title={A workflow for exploring ligand dissociation from a macromolecule}, subtitle={efficient random acceleration molecular dynamics simulation and interaction fingerprint analysis of ligand trajectories}, year={2020}, language={eng}, issn={1089-7690}, volume={153(2020}, note={Gesehen am 05.11.2020}, journal={The journal of chemical physics}, doi={10.1063/5.0019088}, } @article{UBHD-68585198, author={Martinez, Michael and Bruce, Neil J. and Romanowska, Julia and Kokh, Daria B. and {\"O}zboyacı, Musa and Yu, Xiaofeng and {\"O}zt{\"u}rk, Mehmet Ali and Richter, Stefan and Wade, Rebecca C.}, title={SDA 7}, subtitle={a modular and parallel implementation of the simulation of diffusional association software}, year={2015}, pages={1631-1645}, language={eng}, issn={1096-987X}, volume={36}, number={21}, note={Gesehen am 08.06.2020}, journal={Journal of computational chemistry}, doi={10.1002/jcc.23971}, } @article{UBHD-69000512, author={Mendes de Almeida, Marcus Fabiano and Souza Bragatte, Marcelo de and Vianna, Priscila and Freitas, Martiela Vaz de and P{\"o}hner, Ina and Richter, Stefan and Wade, Rebecca C. and Salzano, Francisco Mauro and Vieira, Gustavo Fioravanti}, title={Match Tope}, subtitle={a tool to predict the cross reactivity of peptides complexed with Major Histocompatibility Complex I}, year={2022}, pages={1-10}, language={eng}, issn={1664-3224}, volume={13}, number={Artikel-ID 930590}, note={Gesehen am 22.12.2022}, journal={Frontiers in immunology}, doi={10.3389/fimmu.2022.930590}, } @article{UBHD-68902899, author={Paiardi, Giulia and Richter, Stefan and Oreste, Pasqua and Urbinati, Chiara and Rusnati, Marco and Wade, Rebecca C.}, title={The binding of heparin to spike glycoprotein inhibits SARS-CoV-2 infection by three mechanisms}, year={2022}, pages={1-14}, language={eng}, issn={1083-351X}, volume={298}, note={Published, papers in press, December 18, 2021 ; Gesehen am 06.04.2022}, journal={The journal of biological chemistry}, doi={10.1016/j.jbc.2021.101507}, } @article{UBHD-68112864, author={Stank, Antonia and Richter, Stefan and Wade, Rebecca C.}, title={ProSAT+}, subtitle={visualizing sequence annotations on 3D structure}, year={2016}, pages={281-284}, language={eng}, issn={1741-0134}, volume={29}, number={8}, note={Gesehen am 25.04.2017}, journal={Protein engineering design and selection}, doi={10.1093/protein/gzw021}, } @article{UBHD-68296122, author={Stank, Antonia and Panecka-Hofman, Joanna and Richter, Stefan and Wade, Rebecca C.}, title={TRAPP webserver}, subtitle={predicting protein binding site flexibility and detecting transient binding pockets}, year={2017}, pages={W325-W330}, language={eng}, issn={1362-4962}, volume={45}, number={W1}, note={Gesehen am 16.08.2018}, journal={Nucleic acids research}, doi={10.1093/nar/gkx277}, } @article{UBHD-68118412, author={Weidemann, Andreas and Richter, Stefan and Stein, Matthias and Sahle, Sven and Gauges, Ralph and Gabdoulline, Razif and Surovtsova, Irina and Semmelrock, Nils and Besson, Bruno and Rojas, Isabel and Wade, Rebecca C. and Kummer, Ursula}, title={SYCAMORE}, subtitle={a systems biology computational analysis and modeling research environment}, year={2008}, pages={1463-1464}, language={eng}, issn={1367-4811}, volume={24}, number={12}, note={Gesehen am 11.05.2017}, journal={Bioinformatics}, doi={10.1093/bioinformatics/btn207}, } @article{UBHD-68673890, author={Yuan, Jui-Hung and Han, Sungho Bosco and Richter, Stefan and Wade, Rebecca C. and Kokh, Daria B.}, title={Druggability assessment in TRAPP using machine learning approaches}, year={2020}, pages={1685-1699}, language={eng}, issn={1549-960X}, volume={60}, number={3}, note={Gesehen am 16.12.2020}, journal={Journal of chemical information and modeling}, doi={10.1021/acs.jcim.9b01185}, }