Kaushik Raha

ScholarGPS® ID: 86364940516650

Affiliation

GlaxoSmithKline plc, London

Affiliation History

Field

Physical Sciences and Mathematics

Discipline

Chemistry

Top Specialties

Medicinal Chemistry | Quantum Mechanics

Metrics Summary

Publication Count

Predicted Citations

1,669

Predicted h-index

Ranking

Publications and Citation History

Publications based on Top Specialties

Types of Publication

Publications
Books
Patents
NIH/NSF

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Structure-guided design of antibacterials that allosterically inhibit DNA gyrase (journal article) Thalji, Reema K. \| Raha, Kaushik \| Andreotti, Daniele \| Checchia, Anna \| Cui, Haifeng \| Meneghelli, Giovanni \| Profeta, Roberto \| Tonelli, Federica \| Tommasi, Simona \| Bakshi, Tania \| ... \| Stavenger, Robert A. Bioorganic & Medicinal Chemistry Letters, volume 29, issue 11, pages 1407-1412 (2019). 10.1016/j.bmcl.2019.03.029 Cited by (22) \| Cite \| Source
Discovery of a First-in-Class Gut-Restricted RET Kinase Inhibitor as a Clinical Candidate for the Treatment of IBS (journal article) Schenck Eidam, Hilary \| Russell, John \| Raha, Kaushik \| DeMartino, Michael \| Qin, Donghui \| Guan, Huiping Amy \| Zhang, Zhiliu \| Zhen, Gong \| Yu, Haiyu \| Wu, Chengde \| ... \| Cheung, Mui ACS Medicinal Chemistry Letters, volume 9, issue 7, pages 623-628 (2018). 10.1021/acsmedchemlett.8b00035 Cited by (25) \| Cite \| Source
A Perspective on Water Site Prediction Methods for Structure Based Drug Design (journal article) Graves, Alan P. \| Wall, Ian D. \| Edge, Colin M \| Woolven, James M. \| Cui, Guanglei \| Le Gall, Armelle \| Hong, Xuan \| Raha, Kaushik \| Manas, Eric S. Current Topics in Medicinal Chemistry, volume 17, issue 999, pages 1-1 (2017). 10.2174/1568026617666170427095035 Cited by (12) \| Cite \| Source
Thiophene antibacterials that allosterically stabilize DNA-cleavage complexes with DNA gyrase (journal article) Chan, Pan F. \| Germe, Thomas \| Bax, Benjamin D. \| Huang, Jianzhong \| Thalji, Reema K. \| Bacqué, Eric \| Checchia, Anna \| Chen, Dongzhao \| Cui, Haifeng \| Ding, Xiao \| ... \| Stavenger, Robert A. Proceedings of the National Academy of Sciences, volume 114, issue 22 (2017). 10.1073/pnas.1700721114 Cited by (53) \| Cite \| Source \| Open Access
Discovery of a Potent Class of PI3Kα Inhibitors with Unique Binding Mode via Encoded Library Technology (ELT) (journal article) Yang, Hongfang \| Medeiros, Patricia F. \| Raha, Kaushik \| Elkins, Patricia \| Lind, Kenneth E. \| Lehr, Ruth \| Adams, Nicholas D. \| Burgess, Joelle L. \| Schmidt, Stanley J. \| Knight, Steven D. \| ... \| Evindar, Ghotas ACS Medicinal Chemistry Letters, volume 6, issue 5, pages 531-536 (2015). 10.1021/acsmedchemlett.5b00025 Cited by (61) \| Cite \| Source \| Open Access
Compounds as rearranged during transfection (RET) inhibitors (patent) Eidam, Hilary Schenck \| Raha, Kaushik \| Gong, Zhen \| Guan, Huiping Amy \| Wu, Chengde \| Yang, Haiying \| Yu, Haiyu \| Zhang, Zhiliu \| Cheung, Mui Patent Number: 8937071 (2015) Cited by (30) \| Cite \| Source
[3 a ,4]-Dihydropyrazolo[1,5 a ]pyrimidines: Novel, Potent, and Selective Phosphatidylinositol-3-kinase β Inhibitors (journal article) Yu, Hongyi \| Moore, Michael L. \| Erhard, Karl \| Hardwicke, Mary Ann \| Lin, Hong \| Luengo, Juan I. \| McSurdy-Freed, Jeanelle \| Plant, Ramona \| Qu, Junya \| Raha, Kaushik \| ... \| Rivero, Ralph A. ACS Medicinal Chemistry Letters, volume 4, issue 2, pages 230-234 (2013). 10.1021/ml300330m Cited by (16) \| Cite \| Source \| Open Access
Rational Design, Synthesis, and SAR of a Novel Thiazolopyrimidinone Series of Selective PI3K-beta Inhibitors (journal article) Lin, Hong \| Schulz, Mark J. \| Xie, Ren \| Zeng, Jin \| Luengo, Juan I. \| Squire, Michael D. \| Tedesco, Rosanna \| Qu, Junya \| Erhard, Karl \| Mack, James F. \| ... \| Rivero, Ralph A. ACS Medicinal Chemistry Letters, volume 3, issue 7, pages 524-529 (2012). 10.1021/ml300045b Cited by (36) \| Cite \| Source \| Open Access
Synthesis and structure–activity relationships of 1,2,4-triazolo[1,5-a]pyrimidin-7(3H)-ones as novel series of potent β isoform selective phosphatidylinositol 3-kinase inhibitors (journal article) Sanchez, Robert M. \| Erhard, Karl \| Hardwicke, Mary Ann \| Lin, Hong \| McSurdy-Freed, Jeanelle \| Plant, Ramona \| Raha, Kaushik \| Rominger, Cynthia M. \| Schaber, Michael D. \| Spengler, Michael D. \| ... \| Rivero, Ralph A. Bioorganic & Medicinal Chemistry Letters, volume 22, issue 9, pages 3198-3202 (2012). 10.1016/j.bmcl.2012.03.039 Cited by (45) \| Cite \| Source
Synthesis and structure–activity relationships of imidazo[1,2-a]pyrimidin-5(1H)-ones as a novel series of beta isoform selective phosphatidylinositol 3-kinase inhibitors (journal article) Lin, Hong \| Erhard, Karl \| Hardwicke, Mary Ann \| Luengo, Juan I. \| Mack, James F. \| McSurdy-Freed, Jeanelle \| Plant, Ramona \| Raha, Kaushik \| Rominger, Cynthia M. \| Sanchez, Robert M. \| ... \| Rivero, Ralph A. Bioorganic & Medicinal Chemistry Letters, volume 22, issue 6, pages 2230-2234 (2012). 10.1016/j.bmcl.2012.01.092 Cited by (40) \| Cite \| Source
Quantum mechanics based method for scoring protein-ligand interactions (patent) Raha, Kaushik \| Merz,, Kenneth M. Patent Number: 7904283 (2011) Cited by (5) \| Cite \| Source
Blind docking of pharmaceutically relevant compounds using RosettaLigand (journal article) Davis, Ian W. \| Raha, Kaushik \| Head, Martha S. \| Baker, David Protein Science, volume 18, issue 9, pages 1998-2002 (2009). 10.1002/pro.192 Cited by (69) \| Cite \| Source \| Open Access
The role of quantum mechanics in structure-based drug design (journal article) Raha, Kaushik \| Peters, Martin B. \| Wang, Bing \| Yu, Ning \| Wollacott, Andrew M. \| Westerhoff, Lance M. \| Merz, Kenneth M. Drug Discovery Today, volume 12, issue 17-18, pages 725-731 (2007). 10.1016/j.drudis.2007.07.006 Cited by (216) \| Cite \| Source
Quantum mechanics in structure-based drug design. (journal article) Peters, Martin B \| Raha, Kaushik \| Merz, Kenneth M Current opinion in drug discovery & development, volume 9, issue 3 (2006). Cited by (29) \| Cite
Large-Scale Validation of a Quantum Mechanics Based Scoring Function: Predicting the Binding Affinity and the Binding Mode of a Diverse Set of Protein−Ligand Complexes (journal article) Raha, Kaushik \| Merz, Kenneth M. Journal of Medicinal Chemistry, volume 48, issue 14, pages 4558-4575 (2005). 10.1021/jm048973n Cited by (184) \| Cite \| Source
Pairwise Decomposition of Residue Interaction Energies Using Semiempirical Quantum Mechanical Methods in Studies of Protein−Ligand Interaction (journal article) Raha, Kaushik \| van der Vaart, Arjan J. \| Riley, Kevin E. \| Peters, Martin B. \| Westerhoff, Lance M. \| Kim, Hwanho \| Merz, Kenneth M. Journal of the American Chemical Society, volume 127, issue 18, pages 6583-6594 (2005). 10.1021/ja042666p Cited by (40) \| Cite \| Source
Chapter 9 Calculating Binding Free Energy in Protein–Ligand Interaction (book chapter) In Annual Reports in Computational Chemistry Raha, Kaushik \| Merz, Kenneth M. Elsevier (2005) 10.1016/S1574-1400(05)01009-1 Cited by (35) \| Cite \| Source
Pose Scoring by NMR (journal article) Wang, Bing \| Raha, Kaushik \| Merz, Kenneth M. Journal of the American Chemical Society, volume 126, issue 37, pages 11430-11431 (2004). 10.1021/ja047695e Cited by (25) \| Cite \| Source
A Quantum Mechanics-Based Scoring Function: Study of Zinc Ion-Mediated Ligand Binding (journal article) Raha, Kaushik \| Merz, Kenneth M. Journal of the American Chemical Society, volume 126, issue 4, pages 1020-1021 (2004). 10.1021/ja038496i Cited by (145) \| Cite \| Source
Prediction of amino acid sequence from structure (journal article) Raha, Kaushik \| Wollacott, Andrew M. \| Italia, Michael J. \| Desjarlais, John R. Protein Science, volume 9, issue 6, pages 1106-1119 (2000). 10.1110/ps.9.6.1106 Cited by (73) \| Cite \| Source \| Open Access