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G

Gregory W. Kyro

Yale University

10H指数
36论文数
279被引数
收录论文 14
发表时间
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FragmentRetro: A Quadratic Retrosynthetic Method Based on Fragmentation Algorithms
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2026-01-01
err0
PREAI
errShee, Yu; Smaldone, Anthony M.; Morgunov, Anton; Kyro, Gregory W.; Batista, Victor S.
err分享
err收藏
Correction to “A Hybrid Transformer Architecture with a Quantized Self-Attention Mechanism Applied to Molecular Generation”对“一种应用于分子生成的具有量化自注意力机制的混合Transformer架构”的更正
errJournal of Chemical Theory and Computation
IF5.5
err2025-07-31
err0
PREAI
errAnthony M. Smaldone; Yu Shee; Gregory W. Kyro; Marwa H. Farag; Zohim Chandani; Elica Kyoseva; Victor S. Batista
err分享
err收藏
A Hybrid Transformer Architecture with a Quantized Self-Attention Mechanism Applied to Molecular Generation一种应用于分子生成的具有量化自注意力机制的混合Transformer架构
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-05-07
err0
PREAI
errSmaldone, Anthony M.; Shee, Yu; Kyro, Gregory W.; Farag, Marwa H.; Chandani, Zohim; Batista, Victor S.
err分享
err收藏
CardioGenAI: a machine learning-based framework for re-engineering drugs for reduced hERG liabilityCardioGenAI：一种基于机器学习的用于降低hERG风险药物再工程的框架
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2025-03-05
err0
errOAAI
errKyro, Gregory W.; Martin, Matthew T.; Watt, Eric D.
err分享
err收藏
T-ALPHA: A Hierarchical Transformer-Based Deep Neural Network for Protein-Ligand Binding Affinity Prediction with Uncertainty-Aware Self-Learning for Protein-Specific Alignment
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2025-02-18
err0
errOAAI
errKyro, Gregory W.; Smaldone, Anthony M.; Shee, Yu; Xu, Chuzhi; Batista, Victor S.
err分享
err收藏
ChemSpaceAL: An Efficient Active Learning Methodology Applied to Protein-Specific Molecular Generation
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-01-30
err4
errOAAI
errKyro, Gregory W.; Morgunov, Anton; Brent, Rafael I.; Batista, Victor S.
err分享
err收藏
Quantum convolutional neural networks for multi-channel supervised learning用于多通道监督学习的量子卷积神经网络
errQUANTUM MACHINE INTELLIGENCE
IF4.4
err2023-10-09
err4
errOAAI
errSmaldone, Anthony M.; Kyro, Gregory W.; Batista, Victor S.
err分享
err收藏
The landscape of computational approaches for artificial photosynthesis
errNATURE COMPUTATIONAL SCIENCE
IF18.3
err2023-06-26
err5
PREAI
errYang, Ke R.; Kyro, Gregory W.; Batista, Victor S.
err分享
err收藏
MDiGest: A Python package for describing allostery from molecular dynamics simulations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-06-05
err12
errOAAI
errMaschietto, Federica; Allen, Brandon; Kyro, Gregory W.; Batista, Victor S.
err分享
err收藏
Mapping N- to C-terminal allosteric coupling through disruption of a putative CD74 activation site in D-dopachrome tautomerase
errJOURNAL OF BIOLOGICAL CHEMISTRY
IF3.9
err2023-06-01
err2
errOAAI
errChen, Emily; Widjaja, Vinnie; Kyro, Gregory; Allen, Brandon; Das, Pragnya; Prahaladan, Varsha M.; Bhandari, Vineet; Lolis, Elias J.; Batista, Victor S.; Lisi, George P.
err分享
err收藏
Turning up the heat mimics allosteric signaling in imidazole-glycerol phosphate synthase (vol 14, 2239, 2023)
errNATURE COMMUNICATIONS
IF15.7
err2023-05-05
err0
errOAAI
errMaschietto, Federica; Morzan, Uriel N.; Tofoleanu, Florentina; Gheeraert, Aria; Chaudhuri, Apala; Kyro, Gregory W.; Nekrasov, Peter; Brooks, Bernard; Loria, J. Patrick; Rivalta, Ivan; Batista, Victor S.
err分享
err收藏
Turning up the heat mimics allosteric signaling in imidazole-glycerol phosphate synthase
errNATURE COMMUNICATIONS
IF15.7
err2023-04-19
err11
errOAAI
errMaschietto, Federica; Morzan, Uriel N.; Tofoleanu, Florentina; Gheeraert, Aria; Chaudhuri, Apala; Kyro, Gregory W.; Nekrasov, Peter; Brooks, Bernard; Loria, J. Patrick; Rivalta, Ivan; Batista, Victor S.
err分享
err收藏
HAC-Net: A Hybrid Attention-Based Convolutional Neural Network for Highly Accurate Protein-Ligand Binding Affinity Prediction
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-03-29
err27
errOAAI
errKyro, Gregory W.; Brent, Rafael I.; Batista, Victor S.
err分享
err收藏
Twisting and swiveling domain motions in Cas9 to recognize target DNA duplexes, make double-strand breaks, and release cleaved duplexes
errFRONTIERS IN MOLECULAR BIOSCIENCES
IF4
err2023-01-09
err6
errOAAI
errWang, Jimin; Arantes, Pablo R.; Ahsan, Mohd; Sinha, Souvik; Kyro, Gregory W.; Maschietto, Federica; Allen, Brandon; Skeens, Erin; Lisi, George P.; Batista, Victor S.; Palermo, Giulia
err分享
err收藏

研究方向

暂时未获取到该数据
合作学者
合作期刊
V
Víctor S. Batista
H 指数: 79 · 论文数: 631
B
Bernard R. Brooks
H 指数: 76 · 论文数: 419
V
Vineet Bhandari
H 指数: 63 · 论文数: 482
阳科 封面图
阳科 (Ke Yang)
H 指数: 47 · 论文数: 172
E
Elias Lolis
H 指数: 45 · 论文数: 175
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