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Chemistry

D-Index
119
Citations
65795
World Ranking
508
National Ranking
37

Research.com Recognitions

  • 2017 - Kołos Medal (Medal im. Włodzimierza Kołosa), University of Warsaw and Polish Chemical Society
  • 2012 - Liebig-Denkmünze (Liebig Medal), Society of German Chemists

Overview

Walter Thiel was affiliated with the Max Planck Society in Germany. Their research covered multiple areas within biochemistry, genetics, and molecular biology, with particular attention to antibiotic resistance in bacteria, computational drug discovery methods, and chemical synthesis and analysis.

The scientist's main fields of study included:

  • Biochemistry, Genetics and Molecular Biology

Subfields of focus encompassed:

  • Molecular Medicine
  • Computational Theory and Mathematics
  • Molecular Biology

Walter Thiel's publication record included papers in recognized scientific journals. Notable recent papers are:

  • "Rational prioritization strategy allows the design of macrolide derivatives that overcome antibiotic resistance," 2021, Proceedings of the National Academy of Sciences
  • "Issue Information," 2024, Journal of Computational Chemistry

The frequent publication venues they contributed to included:

  • Proceedings of the National Academy of Sciences
  • Journal of Computational Chemistry

They collaborated regularly with several researchers, including:

  • Gerhard König
  • Pandian Sokkar
  • Niclas Pryk
  • Sascha Heinrich
  • David R. Möller

Throughout their career, Walter Thiel received several awards, such as:

  • Kołos Medal (Medal im. Włodzimierza Kołosa), University of Warsaw and Polish Chemical Society, 2017
  • Liebig-Denkmünze (Liebig Medal), Society of German Chemists, 2012

Best Publications

  • Ground States of Molecules. 38. The MNDO Method. Approximations and Parameters

    Michael J. S. Dewar;Walter Thiel

  • QM/MM Methods for Biomolecular Systems

    Hans Martin Senn;Walter Thiel

  • Ground States of Molecules. 39. MNDO Results for Molecules Containing Hydrogen, Carbon, Nitrogen, and Oxygen

    Michael J. S. Dewar;Walter Thiel

  • Hybrid Models for Combined Quantum Mechanical and Molecular Mechanical Approaches

    Dirk Bakowies;Walter Thiel

  • P450 Enzymes: Their Structure, Reactivity, and Selectivity—Modeled by QM/MM Calculations

    Sason Shaik;Shimrit Cohen;Yong Wang;Hui Chen

  • Theoretical perspective on the structure and mechanism of cytochrome P450 enzymes.

    Sason Shaik;Devesh Kumar;Samuël P. de Visser;and Ahmet Altun

  • QUASI: A general purpose implementation of the QM/MM approach and its application to problems in catalysis

    Paul Sherwood;Alex H. de Vries;Martyn F. Guest;Georg Schreckenbach

  • Benchmarks for electronically excited states: CASPT2, CC2, CCSD, and CC3

    Marko Schreiber;Mario R. Silva-Junior;Stephan P. A. Sauer;Walter Thiel

  • Coordination chemistry at carbon

    Manuel Alcarazo;Christian W. Lehmann;Anakuthil Anoop;Walter Thiel

  • DL-FIND: An Open-Source Geometry Optimizer for Atomistic Simulations

    Johannes Kästner;Joanne M Carr;Thomas W Keal;Walter Thiel

  • Linear scaling geometry optimisation and transition state search in hybrid delocalised internal coordinates

    Salomon R. Billeter;Alexander J. Turner;Walter Thiel

  • Benchmarks for electronically excited states: Time-dependent density functional theory and density functional theory based multireference configuration interaction

    Mario R. Silva-Junior;Marko Schreiber;Stephan P. A. Sauer;Walter Thiel

  • Orthogonalization corrections for semiempirical methods

    Wolfgang Weber;Walter Thiel

  • Theoretical study of the vibrational spectra of the transition metal carbonyls M(CO)6 [M=Cr, Mo, W], M(CO)5 [M=Fe, Ru, Os], and M(CO)4 [M=Ni, Pd, Pt]

    Volker Jonas;Walter Thiel

  • Bridging the gap between thermodynamic integration and umbrella sampling provides a novel analysis method: "Umbrella integration".

    Johannes Kästner;Walter Thiel

  • QM/MM Methods for Biological Systems

    Hans Martin Senn;Walter Thiel

  • Anharmonic force fields from analytic second derivatives: Method and application to methyl bromide

    Winfried Schneider;Walter Thiel

  • QM/MM studies of enzymes.

    Hans Martin Senn;Walter Thiel

  • Semiempirical quantum–chemical methods

    Walter Thiel

  • MNDO Study of Large Carbon Clusters

    Dirk Bakowies;Walter Thiel

  • Evaluation of Spin-Orbit Couplings with Linear-Response Time-Dependent Density Functional Methods.

    Xing Gao;Shuming Bai;Daniele Fazzi;Thomas Niehaus

  • Extension of MNDO to d Orbitals: Parameters and Results for the Second-Row Elements and for the Zinc Group

    Walter Thiel;Alexander A. Voityuk

Frequent Co-Authors

Zhongfang Chen
Zhongfang Chen University of Puerto Rico at Río Piedras
Manuel Alcarazo
Manuel Alcarazo University of Göttingen
Michael Bühl
Michael Bühl University of St Andrews
Richard Goddard
Richard Goddard Max Planck Society
Andreas Hirsch
Andreas Hirsch University of Erlangen-Nuremberg
Sason Shaik
Sason Shaik Hebrew University of Jerusalem
Michael J. S. Dewar
Michael J. S. Dewar The University of Texas at Austin
Benjamin List
Benjamin List Max Planck Society
Alois Fürstner
Alois Fürstner Max Planck Society
Jonathan Tennyson
Jonathan Tennyson University College London

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