Peter Wolschann

According to our database1, Peter Wolschann authored at least 17 papers between 1992 and 2024.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of four.

Timeline

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Bibliography

2024
Evaluating solubility, stability, and inclusion complexation of oxyresveratrol with various β-cyclodextrin derivatives using advanced computational techniques and experimental validation.
Comput. Biol. Chem., 2024

2023
Identification of Promising Sulfonamide Chalcones as Inhibitors of SARS-CoV-2 3CL<sup>pro</sup> through Structure-Based Virtual Screening and Experimental Approaches.
J. Chem. Inf. Model., August, 2023

2018
Theoretical and Experimental Studies on Inclusion Complexes of Pinostrobin and β-Cyclodextrins.
Sensors, 2018

2017
Comparison of Implicit and Explicit Solvation Models for <i>Iota</i>-Cyclodextrin Conformation Analysis from Replica Exchange Molecular Dynamics.
J. Chem. Inf. Model., 2017

2015
Molecular Dynamics Simulations of the Interaction of Beta Cyclodextrin with a Lipid Bilayer.
J. Chem. Inf. Model., 2015

2007
Excited state properties, fluorescence energies, and lifetime of a poly(fluorene-pyridine) copolymer, based on TD-DFT investigation.
J. Comput. Chem., 2007

2006
Molecular Dynamic and Free Energy Studies of Primary Resistance Mutations in HIV-1 Protease-Ritonavir Complexes.
J. Chem. Inf. Model., 2006

2004
Combinatorial QSAR of Ambergris Fragrance Compounds.
J. Chem. Inf. Model., 2004

2003
Structural Flexibility of Non-Nucleoside HIV-1 Reverse Transcriptase Inhibitor: 9-Cl <i>TIBO</i> as Explained by Potential Energy Surface and <sup>13</sup>C and <sup>1</sup>H NMR Calculations, Based on <i>ab initio</i> and Density Functional Study.
J. Chem. Inf. Comput. Sci., 2003

QSAR Modeling of alpha-Campholenic Derivatives with Sandalwood Odor.
J. Chem. Inf. Comput. Sci., 2003

2002
Bayesian Neural Networks for Aroma Classification.
J. Chem. Inf. Comput. Sci., 2002

Internally defined distances in 3D-quantitative structure-activity relationships.
J. Comput. Aided Mol. Des., 2002

2001
3D-Quantitative Structure-Activity Relationships of HEPT Derivatives as HIV-1 Reverse Transcriptase Inhibitors, Based on Ab Initio Calculations.
J. Chem. Inf. Comput. Sci., 2001

1999
Quantitative structure-activity relationships and comparative molecular field analysis of TIBO derivatised HIV-1 reverse transcriptase inhibitors.
J. Comput. Aided Mol. Des., 1999

1998
Systematic stepsize variation: Efficient method for searching conformational space of polypeptides.
J. Comput. Chem., 1998

Comparative molecular field analysis of artemisinin derivatives: Ab initio versus semiempirical optimized structures.
J. Comput. Aided Mol. Des., 1998

1992
Surface comparisons of some odour molecules: Conformational calculations on sandalwood odour V.
J. Comput. Aided Mol. Des., 1992


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