E. Prabhu Raman

3.9k citations

29 papers · 3.0k indexed · 2 hit papers · h-index 21

Molecular Biology top 5%
Computational Theory and Mathematics top 0.5%
Materials Chemistry top 10%
Organic Chemistry top 5%
Atomic and Molecular Physics, and Optics top 10%

Co-authors: Alexander D. MacKerell Kenno Vanommeslaeghe Olgun Guvench Wenbo Yu Sirish Kaushik Lakkaraju Elizabeth Hatcher Sairam S. Mallajosyula Dmitri K. Klimov
Topics: Protein Structure and Dynamics (21 papers)Computational Drug Discovery Methods (16 papers)Enzyme Structure and Function (7 papers)
Cited by: Computational Theory and Mathematics Molecular Biology Spectroscopy
Journals: Journal of the American Chemical Society The Journal of Chemical Physics Journal of Molecular Biology
Partner nations: United States India

In The Last Decade

E. Prabhu Raman

29 papers receiving 2.9k citations

Hit Papers

align trajectories

What are hit papers?

Hit papers significantly outperform the citation benchmark for their cohort. A paper qualifies if it has ≥500 total citations, achieves ≥1.5× the top-1% citation threshold for papers in the same subfield and year (this is the minimum needed to enter the top 1%, not the average within it), or reaches the top citation threshold in at least one of its specific research topics.

Automation of the CHARMM General Force Field (CGenFF) II: Assignment of Bonded Parameters and Partial Atomic Charges

2012 1.3k citations Kenno Vanommeslaeghe, E. Prabhu Raman et al. Journal of Chemical Information and Modeling profile →
CHARMM Additive All-Atom Force Field for Carbohydrate Derivatives and Its Utility in Polysaccharide and Carbohydrate–Protein Modeling

2011 532 citations Olgun Guvench, E. Prabhu Raman et al. Journal of Chemical Theory and Computation profile →

Peers

Countries citing papers authored by E. Prabhu Raman

Since Specialization

Citations

This map shows the geographic impact of E. Prabhu Raman's research. It shows the number of citations coming from papers published by authors working in each country. You can also color the map by specialization and compare the number of citations received by E. Prabhu Raman with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites E. Prabhu Raman more than expected).

Fields of papers citing papers by E. Prabhu Raman

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by E. Prabhu Raman. Nodes represent research fields, and links connect fields that are likely to share authors. Colored nodes show fields that tend to cite the papers produced by E. Prabhu Raman. The network helps show where E. Prabhu Raman may publish in the future.

Co-authorship network of co-authors of E. Prabhu Raman

This figure shows the co-authorship network connecting the top 25 collaborators of E. Prabhu Raman. A scholar is included among the top collaborators of E. Prabhu Raman based on the total number of citations received by their joint publications. Widths of edges represent the number of papers authors have co-authored together. Node borders signify the number of papers an author published with E. Prabhu Raman. E. Prabhu Raman is excluded from the visualization to improve readability, since they are connected to all nodes in the network.

All Works

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20 of 20 papers shown

#	Work	Indexed citations
1	Automated, Accurate, and Scalable Relative Protein–Ligand Binding Free-Energy Calculations Using Lambda Dynamics 2020 ·Journal of Chemical Theory and Computation ·E. Prabhu Raman,Thomas J. Paul,Ryan L. Hayes,Charles L. Brooks	57
2	Novel protein–inhibitor interactions in site 3 of Ca²⁺-bound S100B as discovered by X-ray crystallography 2016 ·Acta Crystallographica Section D Structural Biology ·Michael C. Cavalier,Zephan Melville,(unknown),E. Prabhu Raman,Wenbo Yu,Lei Fang,(unknown),(unknown),Paul T. Wilder,Alexander D. MacKerell,David J. Weber	11
3	Estimation of relative free energies of binding using pre‐computed ensembles based on the single‐step free energy perturbation and the site‐identification by Ligand competitive saturation approaches 2016 ·Journal of Computational Chemistry ·E. Prabhu Raman,Sirish Kaushik Lakkaraju,R. Aldrin Denny,Alexander D. MacKerell	27
4	Pharmacophore Modeling using Site-Identification by Ligand Competitive Saturation (SILCS) Method with Multiple Probe Molecules 2015 ·Biophysical Journal ·Wenbo Yu,E. Prabhu Raman,Sirish Kaushik Lakkaraju,Lei Fang,Alexander D. MacKerell	47
5	Spatial Analysis and Quantification of the Thermodynamic Driving Forces in Protein–Ligand Binding: Binding Site Variability 2015 ·Journal of the American Chemical Society ·E. Prabhu Raman,Alexander D. MacKerell	23
6	Site Identification by Ligand Competitive Saturation (SILCS) Simulations for Fragment-Based Drug Design 2015 ·Methods in molecular biology ·(unknown),E. Prabhu Raman,Alexander D. MacKerell,Olgun Guvench	42
7	Small-molecule inhibitors of ERK-mediated immediate early gene expression and proliferation of melanoma cells expressing mutated BRaf 2015 ·Biochemical Journal ·Ramin Samadani,Jun Zhang,(unknown),Taiji Oashi,U. Deva Priyakumar,E. Prabhu Raman,Franz J. St John,Kwan-Young Jung,Steven Fletcher,Edwin Pozharski,Alexander D. MacKerell,Paul Shapiro	29
8	Pharmacophore Modeling Using Site-Identification by Ligand Competitive Saturation (SILCS) with Multiple Probe Molecules 2015 ·Journal of Chemical Information and Modeling ·Wenbo Yu,Sirish Kaushik Lakkaraju,E. Prabhu Raman,Lei Fang,Alexander D. MacKerell	62
9	Site-Identification by Ligand Competitive Saturation (SILCS) assisted pharmacophore modeling 2014 ·Journal of Computer-Aided Molecular Design ·Wenbo Yu,Sirish Kaushik Lakkaraju,E. Prabhu Raman,Alexander D. MacKerell	52
10	Sampling of Organic Solutes in Aqueous and Heterogeneous Environments Using Oscillating Excess Chemical Potentials in Grand Canonical-like Monte Carlo-Molecular Dynamics Simulations 2014 ·Journal of Chemical Theory and Computation ·Sirish Kaushik Lakkaraju,E. Prabhu Raman,Wenbo Yu,Alexander D. MacKerell	75
11	Rapid estimation of hydration thermodynamics of macromolecular regions 2013 ·The Journal of Chemical Physics ·E. Prabhu Raman,Alexander D. MacKerell	21
12	Structure-Based Discovery of a Novel Pentamidine-Related Inhibitor of the Calcium-Binding Protein S100B 2012 ·ACS Medicinal Chemistry Letters ·Laura E. McKnight,E. Prabhu Raman,(unknown),(unknown),Paul T. Wilder,(unknown),Raquel Godoy‐Ruiz,Eric A. Toth,Andrew Coop,Alexander D. MacKerell,David J. Weber	20
13	Site-Specific Fragment Identification Guided by Single-Step Free Energy Perturbation Calculations 2012 ·Journal of Chemical Theory and Computation ·E. Prabhu Raman,Kenno Vanommeslaeghe,Alexander D. MacKerell	26
14	Molecular Dynamics Simulations of Anti-Aggregation Effect of Ibuprofen 2010 ·Biophysical Journal ·Wenling E. Chang,Takako Takeda,E. Prabhu Raman,Dmitri K. Klimov	22
15	Binding of nonsteroidal anti‐inflammatory drugs to Aβ fibril 2010 ·Proteins Structure Function and Bioinformatics ·Takako Takeda,Wenling E. Chang,E. Prabhu Raman,Dmitri K. Klimov	29
16	Automated Selection of Compounds with Physicochemical Properties To Maximize Bioavailability and Druglikeness 2010 ·Journal of Chemical Information and Modeling ·Taiji Oashi,Ashley Ringer McDonald,E. Prabhu Raman,Alexander D. MacKerell	21
17	Molecular Dynamics Simulations of Ibuprofen Binding to Aβ Peptides 2009 ·Biophysical Journal ·E. Prabhu Raman,Takako Takeda,Dmitri K. Klimov	51
18	Mechanical Unbinding of Aβ Peptides from Amyloid Fibrils 2007 ·Journal of Molecular Biology ·E. Prabhu Raman,Takako Takeda,Valeri Barsegov,Dmitri K. Klimov	14
19	Folding of tandem‐linked domains 2007 ·Proteins Structure Function and Bioinformatics ·E. Prabhu Raman,Valeri Barsegov,Dmitri K. Klimov	10
20	A Reconfigurable Co-Processor for Variable Long Precision Arithmetic Using Indian Algorithms 2001 ·Ramakrishnan Parthasarathi,E. Prabhu Raman,K. Sankaranarayanan,Lakshmi Narasimhan Chakrapani	2

About E. Prabhu Raman

E. Prabhu Raman is a scholar working on Computational Theory and Mathematics, Molecular Biology and Spectroscopy, having authored 29 papers that have together received 3.0k indexed citations. Recurring topics across this work include Protein Structure and Dynamics (21 papers), Computational Drug Discovery Methods (16 papers) and Enzyme Structure and Function (7 papers). The work is most often cited by research in Computational Theory and Mathematics (697 citations), Molecular Biology (2.0k citations) and Spectroscopy (260 citations). E. Prabhu Raman has collaborated with scholars based in United States and India. Frequent co-authors include Alexander D. MacKerell, Kenno Vanommeslaeghe, Olgun Guvench, Wenbo Yu, Sirish Kaushik Lakkaraju, Elizabeth Hatcher, Sairam S. Mallajosyula, Dmitri K. Klimov, Takako Takeda and Lei Fang. Their work appears in journals such as Journal of the American Chemical Society, The Journal of Chemical Physics and Journal of Molecular Biology.

Rankless uses publication and citation data sourced from OpenAlex, an open and comprehensive bibliographic database. While OpenAlex provides broad and valuable coverage of the global research landscape, it—like all bibliographic datasets—has inherent limitations. These include incomplete records, variations in author disambiguation, differences in journal indexing, and delays in data updates. As a result, some metrics and network relationships displayed in Rankless may not fully capture the entirety of a scholar's output or impact.

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