Akshay Uttarkar

Visvesvaraya Technological University

H指数:14

被引数:546

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Quantum-Enabled Protein Folding of Disordered Regions in Ubiquitin C via Error-Mitigated VQE Benchmarked on Tensor Network Simulator and Aria 1

通过误差缓解VQE实现的泛素C无序区域的量子赋能蛋白质折叠，并在张量网络模拟器和Aria 1上进行基准测试

IEEE Transactions on Molecular Biological and Multi-Scale Communications

IF2.3

2026-01-012

PRE

In Silico Discovery of Tanshinone I, a Diterpenoid from Salvia miltiorrhiza (Danshen), as a Dual Antiviral Natural Inhibitor Targeting Conserved Allosteric Sites of HMPV and HRSV RNA-Dependent RNA Polymerases

基于计算机的丹参酮I（Tanshinone I）发现，该化合物是从丹参（Salvia miltiorrhiza (Danshen)）中提取的二萜类物质，作为一种靶向人副流感病毒（HMPV）和人呼吸道合胞病毒（HRSV）RNA依赖性RNA聚合酶保守别构位点的双效抗病毒天然抑制剂。

Journal of Pharmaceutical Innovation

IF2.7

2025-11-100

PRE

Quantum synergy in peptide folding: A comparative study of CVaR-variational quantum eigensolver and molecular dynamics simulation

肽折叠中的量子协同作用: CVaR-变分量子本征求解器和分子动力学模拟的比较研究

INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES

IF8.5

2024-07-011

PRE

BRCA1/TP53 tumor proteins inhibited by novel analogues of curcumin - Insight from computational modelling, dynamic simulation and experimental validation

INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES

IF8.5

2023-12-010

PRE

Carboxymuconolactone decarboxylase is a prospective molecular target for multi-drug resistant Acinetobacter baumannii-computational modeling, molecular docking and dynamic simulation studies

羧基多康内酯脱羧酶是多重耐药鲍曼不动杆菌的前瞻性分子靶标-计算建模，分子对接和动态模拟研究

COMPUTERS IN BIOLOGY AND MEDICINE

IF6.3

2023-05-015

PRE

Insights on Novel Effectors and Characterization of Metacaspase (RS107_6) as a Potential Cell Death-Inducing Protein in Rhizoctonia solani

MICROORGANISMS

IF4.2

2023-04-013

OAAI

Computational design of prospective molecular targets for Burkholderia cepacia complex by molecular docking and dynamic simulation studies

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

IF2.8

2023-01-135

PRE

Design of Novel Coumarin Derivatives as NUDT5 Antagonists That Act by Restricting ATP Synthesis in Breast Cancer Cells

MOLECULES

IF4.6

2022-12-2215

OAAI

Novel 1,2,5-Trisubstituted Benzimidazoles Potentiate Apoptosis by Mitochondrial Dysfunction in Panel of Cancer Cells

ACS OMEGA

IF4.3

2022-12-067

OAAI

Mycobacterium Time-Series Genome Analysis Identifies AAC2′ as a Potential Drug Target with Naloxone Showing Potential Bait Drug Synergism

MOLECULES

IF4.6

2022-09-209

OAAI

A Simple and Rapid Oxidative Stress Screening Method of Small Molecules for Functional Studies of Transcription Factor

RICE SCIENCE

IF6.1

2022-09-014

OAAI

Novel small molecules targeting bZIP23 TF improve stomatal conductance and photosynthesis under mild drought stress by regulating ABA

FEBS JOURNAL

IF4.2

2022-05-0121

PRE

Structural insights on the interaction potential of natural leads against major protein targets of SARS-CoV-2: Molecular modelling, docking and dynamic simulation studies

COMPUTERS IN BIOLOGY AND MEDICINE

IF6.3

2021-05-0117

OAAI

Stress-Induced Detoxification Enzymes in Rice Have Broad Substrate Affinity

ACS OMEGA

IF4.3

2021-01-2011

OAAI

Structural and molecular basis of the interaction mechanism of selected drugs towards multiple targets of SARS-CoV-2 by molecular docking and dynamic simulation studies- deciphering the scope of repurposed drugs

COMPUTERS IN BIOLOGY AND MEDICINE

IF6.3

2020-11-0125

OAAI

Akshay Uttarkar

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