Search Result "Gasteiger-molecular"


Pathological Peptide Folding in Alzheimers Disease and Other Conformational Disorders

Journal: Current Medicinal Chemistry
Volume: 9 Issue: 1 Year: 2002 Page: 1763-1780
Author(s): Peter P. Mager, Botond Penke, Regina Walter, Tibor Harkany, Wolfgang Hartig

Research Article

Natural Compounds as Inhibitors of SARS-CoV-2 Main Protease (3CLpro): A Molecular Docking and Simulation Approach to Combat COVID-19

Journal: Current Pharmaceutical Design
Volume: 27 Issue: 33 Year: 2021 Page: 3577-3589
Author(s): Md. Tabish Rehman,Mohamed F. AlAjmi,Afzal Hussain

3D-QSAR Study on a Series of Bcl-2 Protein Inhibitors Using Comparative Molecular Field Analysis

Journal: Protein & Peptide Letters
Volume: 18 Issue: 5 Year: 2011 Page: 440-449
Author(s): Xuben Hou, Jintong Du, Hao Fang, Minyong Li

Application of Self-Organizing Maps in Compounds Pattern Recognition and Combinatorial Library Design

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 9 Issue: 6 Year: 2006 Page: 473-480
Author(s): Aixia Yan

Comparative Molecular Surface Analysis (CoMSA) for Virtual Combinatorial Library Screening of Styrylquinoline HIV-1 Blocking Agents

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 9 Issue: 1 Year: 2006 Page: 753-770
Author(s): Halina Niedbala, Jaroslaw Polanski, Rafal Gieleciak, Robert Musiol, Dominik Tabak, Barbara Podeszwa, Andrzej Bak, Anna Palka, Jean-Francois Mouscadet, Johann Gasteiger, Marc Le Bret

Meet the Guest Editor

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 12 Issue: 5 Year: 2009 Page: 520-520
Author(s): Ovidiu Ivanciuc

Applications of Integrated Data Mining Methods to Exploring Natural Product Space for Acetylcholinesterase Inhibitors

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 13 Issue: 1 Year: 2010 Page: 54-66
Author(s): Daniela Schuster, Lisa Kern, Dimitar P. Hristozov, Lothar Terfloth, Bruno Bienfait, Christian Laggner, Johannes Kirchmair, Ulrike Grienke, Gerhard Wolber, Thierry Langer, Hermann Stuppner, Johann Gasteiger, Judith M. Rollinger

Investigation by Fluorescence Spectroscopy, Resonance Rayleigh Scattering and Zeta Potential Approaches of the Separate and Simultaneous Binding Effect of Paclitaxel and Estradiol with Human Serum Albumin

Journal: Protein & Peptide Letters
Volume: 18 Issue: 9 Year: 2011 Page: 935-951
Author(s): Narjes Amani, Mohammad Reza Saberi, Jamshid Khan Chamani

Rhodomyrtone Target Exploration: Computer Aided Search on Staphylococcus aureus Key Proteins as a Potential Therapeutic Target

Journal: Current Computer-Aided Drug Design
Volume: 12 Issue: 2 Year: 2016 Page: 119-134
Author(s): Dennapa Saeloh,Varomyalin Tipmanee,Supayang P. Voravuthikunchai

Physicochemical Effects in the Representation of Molecular Structures for Drug Designing

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 3 Issue: 8 Year: 2003 Page: 789-796
Author(s): Johann Gasteiger

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