Jonas Boström

发表

Symmetric kv1.5 blockers discovered by focused screening.

Jonas Boström, Jonas Boström, 2012, ACS medicinal chemistry letters.

MIMUMBA Revisited: Torsion Angle Rules for Conformer Generation Derived from X-ray Structures

Jonas Boström, Jens Sadowski, 2006, J. Chem. Inf. Model..

Ultimate strength study of composite plates

Jonas Boström, Erik Braaten, Jonas Boström, 2013 .

Spatial Ability in Organic Chemistry : Can Virtual and Augmented Reality be Valuable?

Jonas Boström, Karolina Broman, Dan Johnels, 2019 .

A NEMO potential that includes the dipole–quadrupole and quadrupole–quadrupole polarizability

Jonas Boström, Roland Lindh, Asbjørn Holt, 2010, J. Comput. Chem..

A new module for constrained multi‐fragment geometry optimization in internal coordinates implemented in the MOLCAS package

Jonas Boström, Valera Veryazov, Victor Vysotskiy, 2013, J. Comput. Chem..

Computational chemistry-driven decision making in lead generation.

Jonas Boström, Volker Schnecke, V. Schnecke, 2006, Drug discovery today.

What compound should I make next? Using Matched Molecular Series for prospective medicinal chemistry

Jonas Boström, Roger A. Sayle, Noel M. O'Boyle, 2014, Journal of Cheminformatics.

A pharmacophore model for dopamine D4 receptor antagonists

Jonas Boström, Klaus Gundertofte, Tommy Liljefors, 2000, J. Comput. Aided Mol. Des..

Exploiting Structural Information in Patent Specifications for Key Compound Prediction

Jonas Boström, Jon Winter, Sorel Muresan, 2012, J. Chem. Inf. Model..

Deep Reinforcement Learning for Multiparameter Optimization in de novo Drug Design

Jonas Boström, Göran Falkman, Alexander Karlsson, 2019, J. Chem. Inf. Model..

Improving the Use of Deep Convolutional Neural Networks for the Prediction of Molecular Properties

Jonas Boström, Göran Falkman, Alexander Karlsson, 2018, PACBB.

Conformational energy penalties of protein-bound ligands

Jonas Boström, Per-Ola Norrby, Tommy Liljefors, 1998, J. Comput. Aided Mol. Des..

3D-Lab: a collaborative web-based platform for molecular modeling.

Jonas Boström, Magnus Norrby, Christoph Grebner, 2016, Future medicinal chemistry.

Molecular Rift: Virtual Reality for Drug Designers

Jonas Boström, Joakim Eriksson, Magnus Norrby, 2015, J. Chem. Inf. Model..

Reproducing the conformations of protein-bound ligands: A critical evaluation of several popular conformational searching tools

Jonas Boström, Jonas Boström, 2001, J. Comput. Aided Mol. Des..

Deep Convolutional Neural Networks for the Prediction of Molecular Properties: Challenges and Opportunities Connected to the Data

Jonas Boström, Göran Falkman, Alexander Karlsson, 2018, J. Integr. Bioinform..

ReFlex3D: Refined Flexible Alignment of Molecules Using Shape and Electrostatics.

Jonas Boström, David A Cosgrove, Thomas C Schmidt, 2018, Journal of chemical information and modeling.

Transformers for future medicinal chemists

Jonas Boström, Jonas Boström, 2021, Nature Machine Intelligence.

Reusability report: Learning the language of synthetic methods used in medicinal chemistry

Jonas Boström, Jon Paul Janet, Anna Tomberg, 2021, Nature Machine Intelligence.

Exploiting Ligand Conformations in Drug Design

Jonas Boström, Andrew Grant, 2007 .

Can 'easy' chemistry produce complex, diverse, and novel molecules?

Jonas Boström, Anna Tomberg, 2020, Drug discovery today.

Using Matched Molecular Series as a Predictive Tool To Optimize Biological Activity

Jonas Boström, Roger A. Sayle, Noel M. O'Boyle, 2014, Journal of medicinal chemistry.

Coupled Cluster and Møller-Plesset Perturbation Theory Calculations of Noncovalent Intermolecular Interactions using Density Fitting with Auxiliary Basis Sets from Cholesky Decompositions.

Jonas Boström, Roland Lindh, Francesco Aquilante, 2012, Journal of chemical theory and computation.

Analytical Gradients of the Second-Order Moller-Plesset Energy Using Cholesky Decompositions

Jonas Boström, Roland Lindh, Francesco Aquilante, 2014 .

Analysis of Past and Present Synthetic Methodologies on Medicinal Chemistry: Where Have All the New Reactions Gone?

Jonas Boström, Jonas Boström, Dean G. Brown, 2016, Journal of medicinal chemistry.

Scaffold hopping, synthesis and structure-activity relationships of 5,6-diaryl-pyrazine-2-amide derivatives: a novel series of CB1 receptor antagonists.

Jonas Boström, Jonas Boström, Thomas Elebring, 2007, Bioorganic & medicinal chemistry.

Ab Initio Density Fitting: Accuracy Assessment of Auxiliary Basis Sets from Cholesky Decompositions.

Jonas Boström, Roland Lindh, Francesco Aquilante, 2009, Journal of chemical theory and computation.

Oxadiazoles in medicinal chemistry.

Jonas Boström, Anders Hogner, Alleyn T Plowright, 2012, Journal of medicinal chemistry.

Expanding the medicinal chemistry synthetic toolbox

Jonas Boström, György M. Keserü, G. Keserü, 2018, Nature Reviews Drug Discovery.

Calibration of Cholesky Auxiliary Basis Sets for Multiconfigurational Perturbation Theory Calculations of Excitation Energies.

Jonas Boström, Roland Lindh, Francesco Aquilante, 2010, Journal of chemical theory and computation.

Analytical Gradients of Hartree-Fock Exchange with Density Fitting Approximations.

Jonas Boström, Roland Lindh, Francesco Aquilante, 2013, Journal of chemical theory and computation.

Follow-on drugs: how far should chemists look?

Jonas Boström, Christian Tyrchan, Fabrizio Giordanetto, 2011, Drug discovery today.

Assessing the performance of OMEGA with respect to retrieving bioactive conformations.

Jonas Boström, Johan Gottfries, J. Greenwood, 2003, Journal of molecular graphics & modelling.