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MDFit: automated molecular simulations workflow enables high throughput assessment of ligands-protein dynamics.

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Title: MDFit: automated molecular simulations workflow enables high throughput assessment of ligands-protein dynamics.
Authors: Brueckner, Alexander C.1, bruecknera15@gmail.com, Shields, Benjamin1, Kirubakaran, Palani2, Suponya, Alexander1, Panda, Manoranjan1, Posy, Shana L.1, Johnson, Stephen1, Lakkaraju, Sirish Kaushik1, kaushik.lakkaraju@bms.com
Source: Journal of Computer-Aided Molecular Design; 7/17/2024, Vol. 38 Issue 1, p1-13, 13p
Database: Applied Science & Technology Source
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Header DbId: aci
DbLabel: Applied Science & Technology Source
An: 178460443
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  Data: MDFit: automated molecular simulations workflow enables high throughput assessment of ligands-protein dynamics.
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  Data: <searchLink fieldCode="AU" term="%22Brueckner%2C+Alexander+C%2E%22">Brueckner, Alexander C.</searchLink><relatesTo>1</relatesTo>, <i>bruecknera15@gmail.com</i><br /><searchLink fieldCode="AU" term="%22Shields%2C+Benjamin%22">Shields, Benjamin</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AU" term="%22Kirubakaran%2C+Palani%22">Kirubakaran, Palani</searchLink><relatesTo>2</relatesTo><br /><searchLink fieldCode="AU" term="%22Suponya%2C+Alexander%22">Suponya, Alexander</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AU" term="%22Panda%2C+Manoranjan%22">Panda, Manoranjan</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AU" term="%22Posy%2C+Shana+L%2E%22">Posy, Shana L.</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AU" term="%22Johnson%2C+Stephen%22">Johnson, Stephen</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AU" term="%22Lakkaraju%2C+Sirish+Kaushik%22">Lakkaraju, Sirish Kaushik</searchLink><relatesTo>1</relatesTo>, <i>kaushik.lakkaraju@bms.com</i>
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  Data: <searchLink fieldCode="JN" term="%22Journal+of+Computer-Aided+Molecular+Design%22">Journal of Computer-Aided Molecular Design</searchLink>; 7/17/2024, Vol. 38 Issue 1, p1-13, 13p
PLink https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=aci&AN=178460443
RecordInfo BibRecord:
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      – Type: doi
        Value: 10.1007/s10822-024-00564-2
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      – Code: eng
        Text: English
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        PageCount: 13
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      – TitleFull: MDFit: automated molecular simulations workflow enables high throughput assessment of ligands-protein dynamics.
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              M: 07
              Text: 7/17/2024
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              Y: 2024
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              Value: 38
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