Free Energy Calculations in Drug Lead Optimization-Reference-Cited by-同舟云学术

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Free Energy Calculations in Drug Lead Optimization

Published:2012-04-20 Issue: Volume: Page:207-236
ISSN:
Container-title:Protein-Ligand Interactions
language:
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Author:

Steinbrecher Thomas

Publisher

Wiley-VCH Verlag GmbH & Co. KGaA

Reference165 articles.

1. The role of innovation in drug development;Drews;Nature Biotechnology,1997

2. Drug discovery: a historical perspective;Drews;Science,2000

3. On the antibacterial action of cultures of a penicillium, with special reference to their use in the isolation of B. influenzae;Fleming;British Journal of Experimental Pathology,1929

4. Classic drug targets;Drews;Nature Biotechnology,1997

Cited by 6 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Active Learning Guided Drug Design Lead Optimization Based on Relative Binding Free Energy Modeling;Journal of Chemical Information and Modeling;2023-01-04

2. Assessing the effect of forcefield parameter sets on the accuracy of relative binding free energy calculations;Frontiers in Molecular Biosciences;2022-09-12

3. In silico screening of potential β-secretase (BACE1) inhibitors from VIETHERB database;Journal of Molecular Modeling;2022-02-14

4. Can MM/GBSA calculations be sped up by system truncation?;Journal of Computational Chemistry;2017-11-26

5. Effect of explicit water molecules on ligand-binding affinities calculated with the MM/GBSA approach;Journal of Molecular Modeling;2014-05-29

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