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1 . Academic Journal
Hybrid computational methods combining experimental information with molecular dynamics
저자
by
Mondal, Arup
;
Lenz, Stefan
;
MacCallum, Justin L.
;
Perez, Alberto
.
소스
In
Current Opinion in Structural Biology
August 2023 81
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6 . Academic Journal
Charge-controlled Pd catalysis enables the meta-C–H activation and olefination of arenes
저자
by
Mondal, Arup
;
Díaz-Ruiz, Marina
;
Deufel, Fritz
;
Maseras, Feliu
;
van Gemmeren, Manuel
.
소스
In
Chem
13 April 2023 9(4):1004-1016
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7 . Report
Tight Short-Lived Signatures
저자
by
Mondal, Arup
;
Rooparaghunath, Ruthu Hulikal
;
Gupta, Debayan
.
소스
Open Access (Arxiv)
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5 . Report
RANDGENER: Distributed Randomness Beacon from Verifiable Delay Function
저자
by
Mondal, Arup
;
Rooparaghunath, Ruthu Hulikal
;
Gupta, Debayan
.
소스
Open Access (Arxiv)
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5 . Academic Journal
Protein Retrieval via Integrative Molecular Ensembles (PRIME) through Extended Similarity Indices.
저자
by
Chen, Lexin
;
Mondal, Arup
;
Perez, Alberto
;
Miranda-Quintana, Ramón Alain
.
소스
Journal of Chemical Theory & Computation; 7/23/2024, Vol. 20 Issue 14, p6303-6315, 13p
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6 . Periodical
Outcomes of the EMDataResource cryo-EM Ligand Modeling Challenge
저자
by
Lawson, Catherine L.
;
Kryshtafovych, Andriy
;
Pintilie, Grigore D.
;
Burley, Stephen K.
;
Černý, Jiří
, et al.
소스
Nature Methods; July 2024, Vol. 21 Issue: 7 p1340-1348, 9p
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7 . Academic Journal
A Computational Pipeline for Accurate Prioritization of Protein‐Protein Binding Candidates in High‐Throughput Protein Libraries.
저자
by
Mondal, Arup
;
Singh, Bhumika
;
Felkner, Roland H.
;
De Falco, Anna
;
Swapna, GVT
, et al.
소스
Angewandte Chemie International Edition
. 6/10/2024, Vol. 63 Issue 24, p1-12. 12p.
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7 . Periodical
Structural Elucidation of Ubiquitin via Gas-Phase Ion/Ion Cross-Linking Reactions Using Sodium-Cationized Reagents Coupled with Infrared Multiphoton Dissociation
저자
by
Kang, Woo-Young
;
Mondal, Arup
;
Bonney, Julia R.
;
Perez, Alberto
;
Prentice, Boone M.
.
소스
Analytical Chemistry; May 2024, Vol. 96 Issue: 21 p8518-8527, 10p
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7 . Conference
Poster: FLATEE: Federated Learning Across Trusted Execution Environments
저자
by
Mondal, Arup
;
More, Yash
;
Rooparaghunath, Ruthu Hulikal
;
Gupta, Debayan
.
소스
2021 IEEE European Symposium on Security and Privacy (EuroS&P) EUROSP Security and Privacy (EuroS&P), 2021 IEEE European Symposium on. :707-709 Sep, 2021
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6 . Academic Journal
Revolutionizing peptide‐based drug discovery: Advances in the post‐AlphaFold era.
저자
by
Chang, Liwei
;
Mondal, Arup
;
Singh, Bhumika
;
Martínez‐Noa, Yisel
;
Perez, Alberto
.
소스
WIREs: Computational Molecular Science; Jan/Feb2024, Vol. 14 Issue 1, p1-15, 15p
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