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V

Vijay S. Pande

united states department of energy (doe)

110H指数
494论文数
5.8W被引数
收录论文 236
发表时间
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Folding@home: Achievements from over 20 years of citizen science herald the exascale era
errBIOPHYSICAL JOURNAL
IF3.1
err2023-07-01
err24
errOAAI
errVoelz, Vincent A.; Pande, Vijay S.; Bowman, Gregory R.
err分享
err收藏
A Targeted Computational Screen of the SWEETLEAD Database Reveals FDA-Approved Compounds with Anti-Dengue Viral Activity
errMBIO
IF4.7
err2020-12-22
err5
errOAAI
errMoshiri, Jasmine; Constant, David A.; Liu, Bowen; Mateo, Roberto; Kearnes, Steven; Novick, Paul; Prasad, Ritika; Nagamine, Claude; Pande, Vijay; Kirkegaard, Karla
err分享
err收藏
Improvement in ADMET Prediction with Multitask Deep Featurization基于多任务深度特征化的ADMET预测改进
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2020-04-14
err106
PREAI
errFeinberg, Evan N.; Joshi, Elizabeth; Pande, Vijay S.; Cheng, Alan C.
err分享
err收藏
REP-X: An Evolution-guided Strategy for the Rational Design of Cysteine-less Protein Variants
errSCIENTIFIC REPORTS
IF3.9
err2020-02-10
err1
errOAAI
errDalton, Kevin; Lopez, Tom; Pande, Vijay; Frydman, Judith
err分享
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A modular DNA scaffold to study protein-protein interactions at single-molecule resolution
errNATURE NANOTECHNOLOGY
IF34.9
err2019-09-23
err33
errOAAI
errKostrz, Dorota; Wayment-Steele, Hannah K.; Wang, Jing L.; Follenfant, Maryne; Pande, Vijay S.; Strick, Terence R.; Gosse, Charlie
err分享
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Synthesis of spiro-2,6-dioxopiperazine and spiro-2,6-dioxopyrazine scaffolds using amino acids in a three-component reaction to generate potential Sigma-1 (σ1) receptor selective ligands
errEUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
IF5.9
err2019-02-01
err4
errOAAI
errUprety, Rajendra; Varadi, Andras; Allaoa, Abdullah; Redel-Traub, Gabriel N.; Palmer, Travis C.; Feinberg, Evan N.; Ferris, Alex C.; Pande, Vijay S.; Pasternak, Gavril W.; Majumdar, Susruta
err分享
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Note: Variational encoding of protein dynamics benefits from maximizing latent autocorrelation
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-12-05
err8
errOAAI
errWayment-Steele, Hannah K.; Pande, Vijay S.
err分享
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Perspective: Computational chemistry software and its advancement as illustrated through three grand challenge cases for molecular science
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-11-08
err75
errOAAI
errKrylov, Anna; Windus, Theresa L.; Barnes, Taylor; Marin-Rimoldi, Eliseo; Nash, Jessica A.; Pritchard, Benjamin; Smith, Daniel G. A.; Altarawy, Doaa; Saxe, Paul; Clementi, Cecilia; Crawford, T. Daniel; Harrison, Robert J.; Jha, Shantenu; Pande, Vijay S.; Head-Gordon, Teresa
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PotentialNet for Molecular Property Prediction
errACS CENTRAL SCIENCE
IF10.4
err2018-11-02
err283
errOAAI
errFeinberg, Evan N.; Sur, Debnil; Wu, Zhenqin; Husic, Brooke E.; Mai, Huanghao; Li, Yang; Sun, Saisai; Yang, Jianyi; Ramsundar, Bharath; Pande, Vijay S.
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Automated design of collective variables using supervised machine learning使用监督机器学习自动设计集体变量
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-09-07
err117
errOAAI
errSultan, Mohammad M.; Pande, Vijay S.
err分享
err收藏
Computer Simulations Predict High Structural Heterogeneity of Functional State of NMDA Receptors
errBIOPHYSICAL JOURNAL
IF3.1
err2018-09-01
err7
errOAAI
errSinitskiy, Anton, V; Pande, Vijay S.
err分享
err收藏
Towards simple kinetic models of functional dynamics for a kinase subfamily
errNATURE CHEMISTRY
IF20.2
err2018-07-09
err51
errOAAI
errSultan, Mohammad M.; Kiss, Gert; Pande, Vijay S.
err分享
err收藏
Transferable Neural Networks for Enhanced Sampling of Protein Dynamics
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2018-03-12
err89
errOAAI
errSultan, Mohammad M.; Wayment-Steele, Hannah K.; Pande, Vijay S.
err分享
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Markov State Models: From an Art to a Science
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2018-02-02
err600
PREAI
errHusic, Brooke E.; Pande, Vijay S.
err分享
err收藏
Hierarchical Clustering of Markov State Models Reveals Sequence Effects in p53-CTD Dynamic Behavior
errBIOPHYSICAL JOURNAL
IF3.1
err2018-02-01
err0
errOAAI
errWayment-Steele, Hannah K.; Hernandez, Carlos X.; Husic, Brooke E.; Pande, Vijay S.
err分享
err收藏
Kinetic Machine Learning Unravels Ligand-Directed Conformational Change of μ Opioid Receptor
errBIOPHYSICAL JOURNAL
IF3.1
err2018-02-01
err3
errOAAI
errFeinberg, Evan N.; Pande, Vijay S.; Farimani, Amir Barati; Hernandez, Carlos X.
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On the Origins of Regulated Disorder within the C-Terminus of P53
errBIOPHYSICAL JOURNAL
IF3.1
err2018-02-01
err0
errOAAI
errHernandez, Carlos X.; Wayment-Steele, Hannah; Pande, Vijay S.
err分享
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Theoretical restrictions on longest implicit time scales in Markov state models of biomolecular dynamics
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-01-26
err2
errOAAI
errSinitskiy, Anton V.; Pande, Vijay S.
err分享
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A Minimum Variance Clustering Approach Produces Robust and Interpretable Coarse-Grained Models
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2018-01-24
err15
PREAI
errHusic, Brooke E.; McKiernan, Keri A.; Wayment-Steele, Hannah K.; Sultan, Mohammad M.; Pande, Vijay S.
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err收藏
REDOR NMR Reveals Multiple Conformers for a Protein Kinase C Ligand in a Membrane Environment
errACS CENTRAL SCIENCE
IF10.4
err2018-01-02
err43
errOAAI
errYang, Hao; Staveness, Daryl; Ryckbosch, Steven M.; Axtman, Alison D.; Loy, Brian A.; Barnes, Alexander B.; Pande, Vijay S.; Schaefer, Jacob; Wender, Paul A.; Cegelski, Lynette
err分享
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研究方向

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