☆ 4.5 Article

HeroMDAnalysis: an automagical tool for GROMACS-based molecular dynamics simulation analysis

FUTURE MEDICINAL CHEMISTRY (2021)

相关参考文献

注意：仅列出部分参考文献，下载原文获取全部文献信息。

Article Biochemistry & Molecular Biology

Computational identification of natural product leads that inhibit mast cell chymase: an exclusive plausible treatment for Japanese encephalitis

Kamal Kant et al.

Summary: The research identified chymase as a novel therapeutic target to prevent JEV-induced encephalitis and virtually screened three potential chymase inhibitors from natural chemical entities. These compounds demonstrated promising binding affinity and pharmacokinetic profiles in vitro experiments.

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2021)

添加到收藏夹

Review Biochemistry & Molecular Biology

Applications of Molecular Dynamics Simulation in Structure Prediction of Peptides and Proteins

Hao Geng et al.

COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL (2019)

添加到收藏夹

Article Chemistry, Medicinal

Role of Molecular Dynamics and Related Methods in Drug Discovery

Marco De Vivo et al.

JOURNAL OF MEDICINAL CHEMISTRY (2016)

添加到收藏夹

Article Biochemistry & Molecular Biology

The future of molecular dynamics simulations in drug discovery

David W. Borhani et al.

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2012)

添加到收藏夹

Article Biotechnology & Applied Microbiology

Lessons from 60 years of pharmaceutical innovation

Bernard Munos

NATURE REVIEWS DRUG DISCOVERY (2009)

添加到收藏夹

Review Chemistry, Multidisciplinary

Molecular dynamics: Survey of methods for simulating the activity of proteins

Stewart A. Adcock et al.

CHEMICAL REVIEWS (2006)

添加到收藏夹

© Peeref 2019-2024. All rights reserved.