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SR

Sereina Riniker

Board of the Swiss Federal Institutes of Technology CH

0000-0003-1893-4031

223

Publications

9,059

Citations

40

H-Index

107

i10-Index

4.78

2yr Mean Cite

-

Cite/Paper

Data combined from OpenAlex . OA = OpenAlex S2 = Semantic Scholar

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Publication & Citation Trends

Most Cited Works

Definition and testing of the GROMOS force-field versions 54A7 and 54B7 OA

Nathan Schmid, Andreas P. Eichenberger, Alexandra Choutko, Sereina Riniker, Moritz Winger +2 more

European Biophysics Journal 2011

2,508

Better Informed Distance Geometry: Using What We Know To Improve Conformation Generation

Sereina Riniker, Gregory A. Landrum

Journal of Chemical Information and Modeling 2015

723

Open-source platform to benchmark fingerprints for ligand-based virtual screening OA

Sereina Riniker, Gregory A. Landrum

Journal of Cheminformatics 2013

387

Fixed-Charge Atomistic Force Fields for Molecular Dynamics Simulations in the Condensed Phase: An Overview

Sereina Riniker

Journal of Chemical Information and Modeling 2018

252

Similarity maps - a visualization strategy for molecular fingerprints and machine-learning methods OA

Sereina Riniker, Gregory A. Landrum

Journal of Cheminformatics 2013

246

Publications

222 total

Combining IC <sub>50</sub> or <i>K</i> <sub> <i>i</i> </sub> Values from Different Sources Is a Source of Significant Noise PDF

Gregory A. Landrum, Sereina Riniker - Journal of Chemical Information and Modeling, 2024

Cited by 132 OpenAlex

GHOST: Adjusting the Decision Threshold to Handle Imbalanced Data in Machine Learning PDF

Carmen Esposito, Gregory A. Landrum, Nadine Schneider, Nikolaus Stiefl, Sereina Riniker - Journal of Chemical Information and Modeling, 2021

Cited by 173 OpenAlex

Machine Learning in QM/MM Molecular Dynamics Simulations of Condensed-Phase Systems PDF

Lennard Böselt, Moritz Thürlemann, Sereina Riniker - Journal of Chemical Theory and Computation, 2021

Cited by 153 OpenAlex

Improving Conformer Generation for Small Rings and Macrocycles Based on Distance Geometry and Experimental Torsional-Angle Preferences PDF

Shuzhe Wang, Jagna Witek, Gregory A. Landrum, Sereina Riniker - Journal of Chemical Information and Modeling, 2020

Cited by 234 OpenAlex

Fixed-Charge Atomistic Force Fields for Molecular Dynamics Simulations in the Condensed Phase: An Overview

Sereina Riniker - Journal of Chemical Information and Modeling, 2018

Cited by 252 OpenAlex

Machine Learning of Partial Charges Derived from High-Quality Quantum-Mechanical Calculations PDF

Patrick Bleiziffer, Kay Schaller, Sereina Riniker - Journal of Chemical Information and Modeling, 2018

Cited by 183 OpenAlex

Validation of Molecular Simulation: An Overview of Issues

Wilfred F. van Gunsteren, Xavier Daura, Niels Hansen, Alan E. Mark, Chris Oostenbrink et al. - Angewandte Chemie International Edition, 2017

Cited by 151 OpenAlex

A GROMOS-Compatible Force Field for Small Organic Molecules in the Condensed Phase: The 2016H66 Parameter Set

Bruno A. C. Horta, Pascal T. Merz, Patrick Fuchs, Jožica Dolenc, Sereina Riniker et al. - Journal of Chemical Theory and Computation, 2016

Cited by 158 OpenAlex

Better Informed Distance Geometry: Using What We Know To Improve Conformation Generation

Sereina Riniker, Gregory A. Landrum - Journal of Chemical Information and Modeling, 2015

Cited by 723 OpenAlex

The impact of molecular dynamics on drug design: applications for the characterization of ligand–macromolecule complexes

Jérémie Mortier, Christin Rakers, Marcel Bermúdez, Manuela S. Murgueitio, Sereina Riniker et al. - Drug Discovery Today, 2015

Cited by 232 OpenAlex

Research Topics

Protein Structure and Dynamics (95) Computational Drug Discovery Methods (66) Machine Learning in Materials Science (50) Spectroscopy and Quantum Chemical Studies (37) Chemical Synthesis and Analysis (22)

Frequent Co-Authors

GR

Gregory A. Landrum

6 joint publications

WI

Wilfred F. van Gunsteren

4 joint publications

AL

Alan E. Mark

2 joint publications

NA

Nathan Schmid

1 joint publication

AN

Andreas P. Eichenberger

1 joint publication

AL

Alexandra Choutko

1 joint publication

Affiliations

Novartis (Switzerland)

CH 2014 - 2013

Carl von Ossietzky Universität Oldenburg

DE 2020 - 2020

Jordan University of Science and Technology

JO 2020 - 2020

Sun Yat-sen University

CN 2020 - 2020

University of Utah

US 2020 - 2020

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