Search Result "MDsimulations"

Molecular Dynamics in Computer-Aided Drug Discovery: Unveiling Insights into Biomolecular Interactions

Ebook: Computer-Aided Drug Discovery Methods: A Brief Introduction
Volume: 1 Year: 2024
Author(s): Manos C. Vlasiou
Doi: 10.2174/9789815305036124010002

Molecular Dynamics Applied to Discover Antiviral Agents

Ebook: Frontiers in Computational Chemistry
Volume: 6 Year: 2022
Author(s): Igor José dos Santos Nascimento
Doi: 10.2174/9789815036848122060005

Computational Studies on the Truncation of N-terminal Fragment of OspA Antigen of Borrelia burgdorferi: Towards Designing a Second- Generation Vaccine Against Lyme Disease

Journal: Current Proteomics
Volume: 11 Issue: 4 Year: 2014 Page: 264-280
Author(s): Dieudonne Mutangana,Ramesh K. V.,Maithri S. K.

Research Article

Molecular Docking and Dynamics Simulation Analysis of Thymoquinone and Thymol Compounds from Nigella sativa L. that Inhibits P38 Protein: Probable Remedies for Hepatocellular Carcinoma

Journal: Medicinal Chemistry
Volume: 16 Issue: 3 Year: 2020 Page: 350-357
Author(s): Heena Tabassum,Iffat Z. Ahmad

Research Article

Computational Screening for Finding New Potent COX-2 Inhibitors as Anticancer Agents

Journal: Letters in Drug Design & Discovery
Volume: 20 Issue: 2 Year: 2023 Page: 213-224
Author(s): Arun Kumar Jain

A Computational Study of the Structure and Dynamics of the E. coli Transcription Factor RfaH

Journal: Current Biotechnology
Volume: 4 Issue: 1 Year: 2015 Page: 26-38
Author(s): Anna Kahler,Anselm H.C. Horn,Heinrich Sticht

Research Article

Identification and in silico Characterization of Semenogelin II Protein in Semen- A Marker for Diagnosis of male Infertility

Journal: Current Proteomics
Volume: 15 Issue: 4 Year: 2018 Page: 313-319
Author(s): A.S. Vickram,Krishnan Anbarasu,Kamini Arvind Rao,Sivaraman Jayanthi,Tb. B. Sridharan

Research Article

Acarbose Potentially Binds to the Type I Peptide Deformylase Catalytic Site andInhibits Bacterial Growth: An In Silico and In Vitro Study

Journal: Current Pharmaceutical Design
Volume: 28 Issue: 35 Year: 2022 Page: 2890-2900
Author(s): Atul Kumar Singh,Kumari Sunita Prajapati

Research Article

Rational Design of Dual Inhibitors for Alzheimer's Disease: Insights fromComputational Screening of BACE1 and GSK-3β

Journal: Current Computer-Aided Drug Design
Volume: 20 Issue: 6 Year: 2024 Page: 998-1012
Author(s):

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