%0 Journal Article %1 gunsteren2021effect %A Gunsteren, Wilfred F. van %A Daura, Xavier %A Fuchs, Patrick F. J. %A Hansen, Niels %A Horta, Bruno A. C. %A Hünenberger, Philippe H. %A Mark, Alan E. %A Pechlaner, Maria %A Riniker, Sereina %A Oostenbrink, Chris %D 2021 %I Wiley %J ChemPhysChem %K %N 3 %P 264-282 %R 10.1002/cphc.202000968 %T On the Effect of the Various Assumptions and Approximations used in Molecular Simulations on the Properties of Bio-Molecular Systems : Overview and Perspective on Issues %V 22

@article{gunsteren2021effect, added-at = {2023-08-19T11:55:27.000+0200}, affiliation = {van Gunsteren, WF (Corresponding Author), ETH, Lab Phys Chem, Swiss Fed Inst Technol, CH-8093 Zurich, Switzerland. van Gunsteren, Wilfred F.; Huenenberger, Philippe H.; Pechlaner, Maria; Riniker, Sereina, ETH, Lab Phys Chem, Swiss Fed Inst Technol, CH-8093 Zurich, Switzerland. Daura, Xavier, Univ Autonoma Barcelona UAB, Inst Biotechnol & Biomed, Barcelona 08193, Spain. Daura, Xavier, Catalan Inst Res & Adv Studies ICREA, Barcelona 08010, Spain. Fuchs, Patrick F. J., Sorbonne Univ, PSL Res Univ, Lab Biomol LBM, CNRS,Ecole Normale Super, F-75005 Paris, France. Fuchs, Patrick F. J., Univ Paris, UFR Sci Vivant, F-75013 Paris, France. Hansen, Niels, Univ Stuttgart, Inst Thermodynam & Thermal Proc Engn, Pfaffenwaldring 9, D-70569 Stuttgart, Germany. Horta, Bruno A. C., Univ Fed Rio de Janeiro, Inst Quim, BR-21941909 Rio De Janeiro, Brazil. Mark, Alan E., Univ Queensland, Sch Chem & Mol Biosci, St Lucia, Qld 4072, Australia. Oostenbrink, Chris, Univ Nat Resources & Life Sci, Inst Mol Modelling & Simulat, Vienna, Austria.}, author = {Gunsteren, Wilfred F. van and Daura, Xavier and Fuchs, Patrick F. J. and Hansen, Niels and Horta, Bruno A. C. and Hünenberger, Philippe H. and Mark, Alan E. and Pechlaner, Maria and Riniker, Sereina and Oostenbrink, Chris}, biburl = {https://puma.ub.uni-stuttgart.de/bibtex/27d639496e85fe6b159727e8324b7c00f/unibiblio}, doi = {10.1002/cphc.202000968}, interhash = {4ed1eb037f0f628c7ba51a0120e313d0}, intrahash = {7d639496e85fe6b159727e8324b7c00f}, issn = {{1439-4235} and {1439-7641}}, journal = {ChemPhysChem}, keywords = {}, language = {eng}, number = 3, orcid-numbers = {FUCHS, Patrick/0000-0001-7117-994X}, pages = {264-282}, publisher = {Wiley}, research-areas = {Chemistry; Physics}, researcherid-numbers = {FUCHS, Patrick/C-8425-2016}, timestamp = {2023-08-19T09:55:27.000+0200}, title = {On the Effect of the Various Assumptions and Approximations used in Molecular Simulations on the Properties of Bio-Molecular Systems : Overview and Perspective on Issues}, unique-id = {ISI:000603384700001}, volume = 22, year = 2021 }