| The normal-mode entropy in the MM/GBSA method: effect of system truncation, buffer region, and dielectric constant S Genheden, O Kuhn, P Mikulskis, D Hoffmann, U Ryde Journal of chemical information and modeling 52 (8), 2079-2088, 2012 | 204 | 2012 |
| Free-energy perturbation and quantum mechanical study of SAMPL4 octa-acid host–guest binding energies P Mikulskis, D Cioloboc, M Andrejić, S Khare, J Brorsson, S Genheden, ... Journal of computer-aided molecular design 28, 375-400, 2014 | 85 | 2014 |
| A large-scale test of free-energy simulation estimates of protein–ligand binding affinities P Mikulskis, S Genheden, U Ryde Journal of chemical information and modeling 54 (10), 2794-2806, 2014 | 73 | 2014 |
| Accurate predictions of nonpolar solvation free energies require explicit consideration of binding-site hydration S Genheden, P Mikulskis, LH Hu, J Kongsted, P Söderhjelm, U Ryde Journal of the American Chemical Society 133 (33), 13081-13092, 2011 | 65 | 2011 |
| Binding affinities in the SAMPL3 trypsin and host–guest blind tests estimated with the MM/PBSA and LIE methods P Mikulskis, S Genheden, P Rydberg, L Sandberg, L Olsen, U Ryde Journal of computer-aided molecular design 26, 527-541, 2012 | 62 | 2012 |
| Prediction of broad-spectrum pathogen attachment to coating materials for biomedical devices P Mikulskis, A Hook, AA Dundas, D Irvine, O Sanni, D Anderson, ... ACS applied materials & interfaces 10 (1), 139-149, 2018 | 60 | 2018 |
| A semiempirical approach to ligand‐binding affinities: Dependence on the Hamiltonian and corrections P Mikulskis, S Genheden, K Wichmann, U Ryde Journal of Computational Chemistry 33 (12), 1179-1189, 2012 | 42 | 2012 |
| Effect of explicit water molecules on ligand-binding affinities calculated with the MM/GBSA approach P Mikulskis, S Genheden, U Ryde Journal of molecular modeling 20, 1-11, 2014 | 41 | 2014 |
| Toward interpretable machine learning models for materials discovery P Mikulskis, MR Alexander, DA Winkler Advanced Intelligent Systems 1 (8), 1900045, 2019 | 36 | 2019 |
| Can the protonation state of histidine residues be determined from molecular dynamics simulations? J Uranga, P Mikulskis, S Genheden, U Ryde Computational and Theoretical Chemistry 1000, 75-84, 2012 | 34 | 2012 |
| Discovery of synergistic material-topography combinations to achieve immunomodulatory osteoinductive biomaterials using a novel in vitro screening method: The ChemoTopoChip L Burroughs, MH Amer, M Vassey, B Koch, GP Figueredo, ... Biomaterials 271, 120740, 2021 | 33 | 2021 |
| Retrospective analysis of the potential use of virtual control groups in preclinical toxicity assessment using the eTOX database PSR Wright, GF Smith, KA Briggs, R Thomas, G Maglennon, P Mikulskis, ... Regulatory Toxicology and Pharmacology 138, 105309, 2023 | 11 | 2023 |
| Can MM/GBSA calculations be sped up by system truncation? M Misini Ignjatović, P Mikulskis, P Söderhjelm, U Ryde Journal of Computational Chemistry 39 (7), 361-372, 2018 | 7 | 2018 |
| Statistical analysis of preclinical inter-species concordance of histopathological findings in the etox database PSR Wright, KA Briggs, R Thomas, GF Smith, G Maglennon, P Mikulskis, ... Regulatory Toxicology and Pharmacology 138, 105308, 2023 | 4 | 2023 |
| Synergistic Material-Topography Combinations to Achieve Immunomodulatory Osteogenic Biomaterials L Burroughs, MH Amer, M Vassey, B Koch, GP Figueredo, ... BioRxiv, 2020.04. 29.067421, 2020 | 3 | 2020 |
| The impact of pooling animal histopathology control data on the statistical detection of treatment-related findings PSR Wright, KA Briggs, R Thomas, GF Smith, G Maglennon, P Mikulskis, ... Toxicology Letters 350, S63, 2021 | | 2021 |
| Towards efficient and interpretable machine learning models for materials discovery P Mikulskis, M Alexander, D Winkler La Trobe, 2019 | | 2019 |
| Prediction of broad spectrum pathogen attachment to coating materials for biomedical devices data M Alexander, P Mikulskis, D Winkler The University of Nottingham, 2018 | | 2018 |
| Assessment of Computational Methods for Ligand Binding P Mikulskis Lund University, 2015 | | 2015 |
| Prediction of Broad-Spectrum Pathogen Attachment to Coating Materials for Biomedical Devices AA Dundas, P Mikulskis, A Hook, A Dundas, D Irvine, O Sanni, ... ACS Applied Materials and Interfaces 10 (1), 0 | | |
Samuel GenhedenR&D AstraZeneca, GothenburgVerified email at astrazeneca.com
