P. Mikulskis

发表

Accurate predictions of nonpolar solvation free energies require explicit consideration of binding-site hydration.

Jacob Kongsted, Samuel Genheden, Pär Söderhjelm, 2011, Journal of the American Chemical Society.

Can the protonation state of histidine residues be determined from molecular dynamics simulations

Samuel Genheden, Paulius Mikulskis, Ulf Ryde, 2012 .

Effect of explicit water molecules on ligand-binding affinities calculated with the MM/GBSA approach

Samuel Genheden, Paulius Mikulskis, Ulf Ryde, 2014, Journal of Molecular Modeling.

Prediction of Broad-Spectrum Pathogen Attachment to Coating Materials for Biomedical Devices.

Andrew L. Hook, Daniel G. Anderson, R. Langer, 2018, ACS applied materials & interfaces.

Statistical analysis of preclinical inter-species concordance of histopathological findings in the eTOX database.

N. Greene, K. Briggs, G. Maglennon, 2022, Regulatory toxicology and pharmacology : RTP.

Retrospective analysis of the potential use of virtual control groups in preclinical toxicity assessment using the eTOX database.

N. Greene, K. Briggs, G. Maglennon, 2022, Regulatory toxicology and pharmacology : RTP.

A proton magnetic resonance study of hydrogen bonding and self-association processes of trimethylacetic acid

P. Mikulskis, L. Kimtys, 1975 .

Discovery of synergistic material-topography combinations to achieve immunomodulatory osteoinductive biomaterials using a novel in vitro screening method: The ChemoTopoChip.

I. Dryden, M. Alexander, J. de Boer, 2021, Biomaterials.

Synergistic Material-Topography Combinations to Achieve Immunomodulatory Osteoinductive Biomaterials

I. Dryden, M. Alexander, G. Figueredo, 2021 .

Synergistic Material-Topography Combinations to Achieve Immunomodulatory Osteogenic Biomaterials

I. Dryden, M. Alexander, J. de Boer, 2020, bioRxiv.

The Normal-Mode Entropy in the MM/GBSA Method: Effect of System Truncation, Buffer Region, and Dielectric Constant

Daniel Hoffmann, Samuel Genheden, Paulius Mikulskis, 2012, J. Chem. Inf. Model..

Toward Interpretable Machine Learning Models for Materials Discovery

Morgan R. Alexander, David A. Winkler, Paulius Mikulskis, 2019, Adv. Intell. Syst..

Binding affinities in the SAMPL3 trypsin and host–guest blind tests estimated with the MM/PBSA and LIE methods

Lars Olsen, Patrik Rydberg, Samuel Genheden, 2012, Journal of Computer-Aided Molecular Design.

A Large-Scale Test of Free-Energy Simulation Estimates of Protein-Ligand Binding Affinities

Samuel Genheden, Paulius Mikulskis, Ulf Ryde, 2014, J. Chem. Inf. Model..

Chemiluminescent immunoassay (CLIA) for the detection of brucellosis and tularaemia antigens.

J. Kulys, R. Vidžiūnaitė, P. Mikulskis, 1995, Journal of bioluminescence and chemiluminescence.

Chemiluminescence ELISA for the detection of antibodies to bovine leukaemia virus antigens.

J. Kulys, R. Vidžiūnaitė, P. Mikulskis, 1995, Journal of bioluminescence and chemiluminescence.

Free-energy perturbation and quantum mechanical study of SAMPL4 octa-acid host–guest binding energies

Ricardo A. Mata, Samuel Genheden, Pär Söderhjelm, 2014, Journal of Computer-Aided Molecular Design.

A semiempirical approach to ligand‐binding affinities: Dependence on the Hamiltonian and corrections

Samuel Genheden, Paulius Mikulskis, Ulf Ryde, 2012, J. Comput. Chem..

Accurate predictions of nonpolar solvation free energies require explicit consideration of binding-site hydration.

Lihong Hu, S. Genheden, U. Ryde, 2011, Journal of the American Chemical Society.

Can MM/GBSA calculations be sped up by system truncation?

Pär Söderhjelm, Paulius Mikulskis, Ulf Ryde, 2018, J. Comput. Chem..

The Normal-Mode Entropy in the MM/GBSA Method: Effect of System Truncation, Buffer Region, and Dielectric Constant

S. Genheden, U. Ryde, D. Hoffmann, 2012, J. Chem. Inf. Model..