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Eshwar P. Raman, Ph.D. - Publications

Affiliations: 
2008 George Mason University, Washington, DC 
Area:
General Biophysics, Bioinformatics Biology
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13 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2015 Faller CE, Raman EP, MacKerell AD, Guvench O. Site Identification by Ligand Competitive Saturation (SILCS) simulations for fragment-based drug design. Methods in Molecular Biology (Clifton, N.J.). 1289: 75-87. PMID 25709034 DOI: 10.1007/978-1-4939-2486-8_7  0.395
2015 Lakkaraju SK, Yu W, Raman EP, Hershfeld AV, Fang L, Deshpande DA, MacKerell AD. Mapping functional group free energy patterns at protein occluded sites: nuclear receptors and G-protein coupled receptors. Journal of Chemical Information and Modeling. 55: 700-8. PMID 25692383 DOI: 10.1021/Ci500729K  0.302
2015 Raman EP, MacKerell AD. Spatial analysis and quantification of the thermodynamic driving forces in protein-ligand binding: binding site variability. Journal of the American Chemical Society. 137: 2608-21. PMID 25625202 DOI: 10.1021/ja512054f  0.452
2015 Small MC, Lakkaraju SK, Raman EP, Andrade RB, MacKerell, AD. Molecular Understanding of the Binding of Macrolide Antibiotics to the Ribosome using Site-Identification via Ligand Competitive Saturation Biophysical Journal. 108: 469a. DOI: 10.1016/j.bpj.2014.11.2566  0.373
2013 Raman EP, Yu W, Lakkaraju SK, MacKerell AD. Inclusion of multiple fragment types in the site identification by ligand competitive saturation (SILCS) approach. Journal of Chemical Information and Modeling. 53: 3384-98. PMID 24245913 DOI: 10.1021/ci4005628  0.342
2012 Raman EP, Vanommeslaeghe K, Mackerell AD. Site-Specific Fragment Identification Guided by Single-Step Free Energy Perturbation Calculations. Journal of Chemical Theory and Computation. 8: 3513-3525. PMID 23144598 DOI: 10.1021/ct300088r  0.336
2011 Raman EP, Yu W, Guvench O, Mackerell AD. Reproducing crystal binding modes of ligand functional groups using Site-Identification by Ligand Competitive Saturation (SILCS) simulations. Journal of Chemical Information and Modeling. 51: 877-96. PMID 21456594 DOI: 10.1021/Ci100462T  0.323
2010 Takeda T, Kumar R, Raman EP, Klimov DK. Nonsteroidal anti-inflammatory drug naproxen destabilizes Aβ amyloid fibrils: a molecular dynamics investigation. The Journal of Physical Chemistry. B. 114: 15394-402. PMID 20979356 DOI: 10.1021/Jp107955V  0.747
2010 Takeda T, Chang WE, Raman EP, Klimov DK. Binding of nonsteroidal anti-inflammatory drugs to Abeta fibril. Proteins. 78: 2849-60. PMID 20635343 DOI: 10.1002/Prot.22804  0.615
2010 Chang WE, Takeda T, Raman EP, Klimov DK. Molecular dynamics simulations of anti-aggregation effect of ibuprofen. Biophysical Journal. 98: 2662-70. PMID 20513411 DOI: 10.1016/J.Bpj.2010.02.031  0.639
2009 Raman EP, Takeda T, Klimov DK. Molecular dynamics simulations of Ibuprofen binding to Abeta peptides. Biophysical Journal. 97: 2070-9. PMID 19804739 DOI: 10.1016/J.Bpj.2009.07.032  0.757
2007 Raman EP, Takeda T, Barsegov V, Klimov DK. Mechanical unbinding of abeta peptides from amyloid fibrils. Journal of Molecular Biology. 373: 785-800. PMID 17868685 DOI: 10.1016/J.Jmb.2007.08.034  0.701
2007 Raman EP, Barsegov V, Klimov DK. Folding of tandem-linked domains. Proteins. 67: 795-810. PMID 17380511 DOI: 10.1002/Prot.21339  0.464
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