A consensus protocol for the in silico optimisation of antibody fragments Supplementary Information Miguel A. Soler, †,‡ Barbara Medagli, ¶ Marta S. Semrau, § Paola Storici, § Gregor Bajc, ‖ Ario de Marco, ⊥ Alessandro Laio, ∗,†,# and Sara Fortuna ∗,¶ †International School for Advanced Studies (SISSA), Via Bonomea 265, 34136, Trieste, Italy ‡Italian Institute of Technology (IIT), Via Melen 83, B Block, 16152, Genova, Italy ¶Department of Chemical and Pharmaceutical Sciences, University of Trieste, Via L. Giorgieri 1, 34127 Trieste, Italy §Structural Biology Laboratory, Elettra - Sincrotrone Trieste S.C.p.A. SS 14 - km 163,5 in AREA Science Park, 34149 Trieste, Italy ‖Department of Biology, Biotechnical Faculty, University of Ljubljana, Jamnikarjeva 101, 1000 Ljubljana, Slovenia ⊥Laboratory of Environmental and Life Sciences, University of Nova Gorica, Vipavska cesta 13, SI-5000, Roˇ zna Dolina (Nova Gorica), Slovenia #The Abdus Salam International Centre for Theoretical Physics (ICTP), Strada Costiera 11, 34151 Trieste, Italy E-mail: laio@sissa.it; s.fortuna@units.it 1 Electronic Supplementary Material (ESI) for Chemical Communications. This journal is © The Royal Society of Chemistry 2019