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K

Koushik Kasavajhala

stony brook university

11H-index
27Paper Count
1.5WCitation Count
Published Papers 10
Publication Date
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Recent Developments in Amber Biomolecular Simulations
errJournal of Chemical Information and Modeling
IF5.3
err2025-07-29
err0
errOAAI
errDavid A. Case; David S. Cerutti; Vinícius Wilian D. Cruzeiro; Thomas A. Darden; Robert E. Duke; Mahdieh Ghazimirsaeed; George M. Giambaşu; Timothy J. Giese; Andreas W. Götz; Julie A. Harris; Koushik Kasavajhala; Tai-Sung Lee; Zhen Li; Charles Lin; Jian Liu; Yinglong Miao; Romelia Salomon-Ferrrer; Jana Shen; Ryan Snyder; Jason Swails; Ross C. Walker; Jinan Wang; Xiongwu Wu; Jinzhe Zeng; Thomas E. Cheatham III; Daniel R. Roe; Adrian Roitberg; Carlos Simmerling; Darrin M. York; Maria C. Nagan; Kenneth M. Merz Jr.
errShare
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The AmberTools
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-10-08
err474
errOAAI
errCase, David A.; Aktulga, Hasan Metin; Belfon, Kellon; Cerutti, David S.; Cisneros, G. Andres; Cruzeiro, Vinicus Wilian D.; Forouzesh, Negin; Giese, Timothy J.; Gotz, Andreas W.; Gohlke, Holger; Izadi, Saeed; Kasavajhala, Koushik; Kaymak, Mehmet C.; King, Edward; Kurtzman, Tom; Lee, Tai-Sung; Li, Pengfei; Liu, Jian; Luchko, Tyler; Luo, Ray; Manathunga, Madushanka; Machado, Matias R.; Nguyen, Hai Minh; O'Hearn, Kurt A.; Onufriev, Alexey V.; Pan, Feng; Pantano, Sergio; Qi, Ruxi; Rahnamoun, Ali; Risheh, Ali; Schott-Verdugo, Stephan; Shajan, Akhil; Swails, Jason; Wang, Junmei; Wei, Haixin; Wu, Xiongwu; Wu, Yongxian; Zhang, Shi; Zhao, Shiji; Zhu, Qiang; Cheatham, I. I. I. Thomas E.; Roe, Daniel R.; Roitberg, Adrian; Simmerling, Carlos; York, Darrin M.; Nagan, Maria C.; Merz, Jr Kenneth M.
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Benchmarking Refined and Unrefined AlphaFold2 Structures for Hit Discovery
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-03-10
err46
PREAI
errZhang, Yuqi; Vass, Marton; Shi, Da; Abualrous, Esam; Chambers, Jennifer M.; Chopra, Nikita; Higgs, Christopher; Kasavajhala, Koushik; Li, Hubert; Nandekar, Prajwal; Sato, Hideyuki; Miller, Edward B.; Repasky, Matthew P.; Jerome, Steven, V
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Exploring the Transferability of Replica Exchange Structure Reservoirs to Accelerate Generation of Ensembles for Alternate Hamiltonians or Protein Mutations
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-03-02
err1
errOAAI
errKasavajhala, Koushik; Simmerling, Carlos
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Accelerating the Ensemble Convergence of RNA Hairpin Simulations with a Replica Exchange Structure Reservoir
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-05-03
err6
errOAAI
errLam, Kenneth; Kasavajhala, Koushik; Gunasekera, Sarah; Simmerling, Carlos
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errSave
Exploring Protocols to Build Reservoirs to Accelerate Temperature Replica Exchange MD Simulations
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-11-03
err11
errOAAI
errKasavajhala, Koushik; Lam, Kenneth; Simmerling, Carlos
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errSave
ff19SB: Amino-Acid-Specific Protein Backbone Parameters Trained against Quantum Mechanics Energy Surfaces in Solution
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2019-11-12
err1.2K
errOAAI
errTian, Chuan; Kasavajhala, Koushik; Belfon, Kellon A. A.; Raguette, Lauren; Huang, He; Migues, Angela N.; Bickel, John; Wang, Yuzhang; Pincay, Jorge; Wu, Qin; Simmerling, Carlos
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Role of Urea Aromatic Stacking Interactions in Stabilizing the Aromatic Residues of the Protein in Urea-Induced Denatured State
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2017-10-17
err52
PREAI
errGoyal, Siddharth; Chattopadhyay, Aditya; Kasavajhala, Koushik; Priyakumar, U. Deva
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errSave
ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2015-07-23
err8.0K
errOAAI
errMaier, James A.; Martinez, Carmenza; Kasavajhala, Koushik; Wickstrom, Lauren; Hauser, Kevin E.; Simmerling, Carlos
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errSave
Extracting representative structures from protein conformational ensembles
errPROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
IF2.8
err2014-07-05
err8
errOAAI
errPerez, Alberto; Roy, Arijit; Kasavajhala, Koushik; Wagaman, Amy; Dill, Ken A.; MacCallum, Justin L.
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Research Directions

No research directions
Co-authors
Cooperation Journals
D
David A. Case
H-index: 107 · Papers: 518
K
Ken A. Dill
H-index: 105 · Papers: 582
K
Kenneth M. Merz
H-index: 83 · Papers: 690
王君玫 cover
王君玫 (Junmei Wang)
H-index: 76 · Papers: 751
T
Thomas E. Cheatham
H-index: 68 · Papers: 288
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