Interactive Graphical Optimization of Potential Energy Function Parameters in the Consistent Force Field. - Søren Balling Engelsen; Jesper Fabricius; Kjeld Rasmussen (Comput. Chem., 1994)

Internal Motions of Carbohydrates as PRobed by Comparative Molecular Modeling and Nuclear Magnetic Resonance of Ethyl beta-Lactoside. - Søren Balling Engelsen; Serge Pérez; Isabelle Braccini; Catherine Hervé du Penhoat (J. Comput. Chem., 1995)

Prediction of in vitro metabolic stability of calcitriol analogs by QSAR. - Berith F. Jensen; Morten Dahl Sørensen; Anne-Marie Kissmeyer; Fredrik Björkling; Kim Sonne; Søren Balling Engelsen; Lars Nørgaard (J. Comput. Aided Mol. Des., 2003)

A hydration study of (1->4) and (1->6) linked alpha-glucans by comparative 10 ns molecular dynamics simulations and 500-MHz NMR. - Francisco Corzana; Mohammed S. Motawia; Catherine Hervé du Penhoat; Serge Pérez; Sarah M. Tschampel; Robert J. Woods; Søren Balling Engelsen (J. Comput. Chem., 2004)

How the energy evaluation method used in the geometry optimization step affect the quality of the subsequent QSAR/QSPR models. - Åsmund Rinnan; Niels Johan Christensen; Søren Balling Engelsen (J. Comput. Aided Mol. Des., 2010)

The quality, uniqueness, and causality of NMR-based prediction models for low-density lipoprotein cholesterol subfractions in human blood plasma. - Yongxin Ye; Bo Markussen; Søren Balling Engelsen; Bekzod Khakimov (Comput. Biol. Medicine, 2025)