Ingemar Nilsson

Ligand Affinities Predicted with the MM/PBSA Method:  Dependence on the Simulation Method and the Force Field

Aaron Weis, Kambiz Katebzadeh, Pär Söderhjelm et al. · Journal of Medicinal Chemistry · 2006 · 266 citations · Full text

Natural Sciences, Biophysics, Chemistry +17

Binding Affinities of Factor Xa Inhibitors Estimated by Thermodynamic Integration and MM/GBSA

Samuel Genheden, Ingemar Nilsson, Ulf Ryde · Journal of Chemical Information and Modeling · 2011 · 78 citations · Full text

Pharmacy, Chemistry, Medicinal Chemistry +17

Investigation of the Relationship between Topology and Selectivity for Druglike Molecules

Yidong Yang, Hongming Chen, Ingemar Nilsson et al. · Journal of Medicinal Chemistry · 2010 · 67 citations

Pharmacy, Medicinal Chemistry, Pharmacology +10

Targeting thrombin and factor VIIa: design, synthesis, and inhibitory activity of functionally relevant indolizidinones

Stephen Hanessian, Éric Therrien, Kenneth L. Granberg et al. · Bioorganic & Medicinal Chemistry Letters · 2002 · 52 citations · Full text

Pharmacy, Medicinal Chemistry, Pharmacology +16

Beyond the Scope of Free-Wilson Analysis: Building Interpretable QSAR Models with Machine Learning Algorithms

Hongming Chen, Lars Carlsson, Mats Eriksson et al. · Journal of Chemical Information and Modeling · 2013 · 47 citations

Pharmacy, Chemistry, Medicinal Chemistry +17