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Niladri Patra

indian institute of technology (ism)

14H指数
96论文数
943被引数
收录论文 36
发表时间
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Integrated first-principles, SCAPS-1D, and a ML framework for numerical modelling and performance optimization of BaXS3 (X = Zr, Hf)-based perovskite solar cells集成第一性原理、SCAPS-1D和机器学习框架用于BaXS3（X = Zr, Hf）基钙钛矿太阳能电池的数值建模与性能优化
errPhysical Chemistry Chemical Physics
IF2.9
err2026-07-29
err0
PREAI
errSunidhi Raj; Niladri Patra Corresponding Author
err分享
err收藏
Element-Ligand Cooperativity of Hypervalent Organotin(IV) Compounds in Hydroboration Reaction of Carbonyl Compounds高价有机锡(IV)化合物的元素-配体协同作用在羰基化合物的氢硼化反应中
errInorganic Chemistry
IF4.7
err2026-05-18
err0
PREAI
errSudipta Chakraborty; Debayan Basu; Gourav Chakraborty; Niladri Patra; Hari Pada Nayek
err分享
err收藏
Effect of Cholesterol on the Gramicidin A Induced Membrane Curvature and Order Parameter胆固醇对短杆菌肽A诱导的膜弯曲和有序参数的影响
errChemPhysChem
IF2.2
err2026-02-12
err0
PREAI
errSrivastava, Diship; Mukherjee, Shreya; Begom, Muskan; Patra, Niladri
err分享
err收藏
Elucidating the Role of Protein–Protein Interactions in Modulating Inhibitor Affinity and Release Mechanisms in Serine Arginine Protein Kinase阐明蛋白质-蛋白质相互作用在调节丝氨酸精氨酸蛋白激酶抑制剂亲和力和释放机制中的作用
errThe Journal of Physical Chemistry B
IF2.9
err2026-01-28
err0
PREAI
errShreya Mukherjee; Niladri Patra
err分享
err收藏
A Hybrid OPES-eABF Framework for Efficient Exploration and Data-Driven Collective Variable Discovery in Complex Free-Energy Landscapes
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2025-12-01
err0
PREAI
errChakraborty, Gourav; Patra, Niladri
err分享
err收藏
Mapping Conformational and Kinetic Landscapes of 14-3-3σ/α-Synuclein Assembly via Variational Autoencoders and Markov State Models通过变分自编码器和马尔可夫状态模型映射14-3-3σ/α-突触蛋白组装的构象和动力学景观
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2025-11-01
err0
PREAI
errChakraborty, Gourav; Patra, Niladri
err分享
err收藏
Dual Allosteric and Orthosteric Inhibition of 14-3-3ζ-α-Synuclein Interaction: A Multiscale Simulation and Machine Learning Approach双重别构和正构抑制14-3-3ζ-α-突触蛋白相互作用：一种多尺度模拟和机器学习方法
errADVANCED THEORY AND SIMULATIONS
IF2.9
err2025-11-01
err0
PREAI
errChakraborty, Gourav; Chaudhary, Aditi; Patra, Niladri
err分享
err收藏
Exploring the Structural Dynamics of SRPK1 to Identify Competitive Inhibitors via Molecular Modeling Techniques通过分子建模技术研究SRPK1的结构动力学以识别竞争性抑制剂
errCHEMPHYSCHEM
IF2.2
err2025-11-01
err0
PREAI
errMukherjee, Shreya; Bera, Abhishek; Patra, Niladri
err分享
err收藏
Hypervalent Organotin(IV) Compounds as Efficient Catalysts for the Knoevenagel Condensation of Aldehydes高价有机锡(IV)化合物作为醛类Knoevenagel缩合反应的高效催化剂
errChemistry – An Asian Journal
IF0
err2025-08-13
err0
PREAI
errDebayan Basu; Sudipta Chakraborty; Barshali Ghosh; Shreya Mukherjee; Dr. Niladri Patra; Dr. Hari Pada Nayek
err分享
err收藏
Exploring Metastable States along UUCG Unfolding Pathway Using Drude Force Field使用Drude力场探索UUCG展开路径上的亚稳态
errJournal of Chemical Theory and Computation
IF5.5
err2025-06-29
err0
PREAI
errDiship Srivastava; Shreya Mukherjee; Niladri Patra
err分享
err收藏
Computational structure-guided approach to simulate delamanid and pretomanid binding to mycobacterial F420 redox cycling proteins: identification of key determinants of resistance基于计算结构指导的方法模拟德拉马尼和普托马尼与分枝杆菌F420氧化还原循环蛋白的结合：识别耐药性的关键决定因素
errJOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
IF2.4
err2025-05-06
err0
PREAI
errGourav Chakraborty; Mahima Sudhir Kolpe; I. V. Ambily Nath; Avlokita Tiwari; Praapti Jayaswal; Niladri Patra
err分享
err收藏
Improving the Computational Efficiency of the Adaptive Biasing Force Sampling by Leveraging the Telescopic-Solvation Scheme
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-12-07
err0
PREAI
errSrivastava, Diship; Patra, Niladri
err分享
err收藏
Delving into Macrolide Binding Affinities and Associated Structural Modulations in Erythromycin Esterase C: Insights into the Venus Flytrap Mechanism
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-11-20
err1
PREAI
errBera, Abhishek; Joshi, Pritish; Patra, Niladri
err分享
err收藏
Physicochemical Analysis of Cu(II)-Driven Electrochemical CO2 Reduction and its Competition with Proton ReductionCu(II) 驱动的电化学CO2还原及其与质子还原的竞争的理化分析
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2024-11-12
err0
errOAAI
errAkhter, Sk Samim; Srivastava, Diship; Mishra, Aman; Patra, Niladri; Kumar, Pankaj; Padhi, Sumanta Kumar
err分享
err收藏
Insights into Allosteric Inhibition of the AcrB Efflux Pump: Role of Distinct Binding Pockets, Protomer Preferences, and Crosstalk Disruption
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-07-16
err1
PREAI
errRoy, Rakesh Kumar; Bera, Abhishek; Patra, Niladri
err分享
err收藏
Formate dehydrogenase activity by a Cu(II)-based molecular catalyst and deciphering the mechanism using DFT studies
errDALTON TRANSACTIONS
IF3.3
err2024-01-01
err4
PREAI
errMishra, Aman; Srivastava, Diship; Raj, Dev; Patra, Niladri; Padhi, Sumanta Kumar
err分享
err收藏
Rationally designed porous self-assembled nanoparticles for combinational chemo-photodynamic therapy
errDALTON TRANSACTIONS
IF3.3
err2024-01-01
err0
PREAI
errNegi, Kanchan; Kumar, Ashok; Chakraborty, Gourav; Sahoo, Sudhansubala; Patra, Sushmita; Patra, Niladri; Bhutia, Sujit Kumar; Sahu, Sumanta Kumar
err分享
err收藏
Telescoping-Solvation-Box Protocol-Based Umbrella Sampling Method for Potential Mean Force Estimation
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-09-16
err2
PREAI
errSrivastava, Diship; Patra, Niladri
err分享
err收藏
Encapsulation of testosterone and dihydrotestosterone into chiral carbon nanotubes: A molecular dynamics study
errJOURNAL OF MOLECULAR LIQUIDS
IF5.2
err2023-04-01
err2
PREAI
errRoy, Rakesh Kumar; Bera, Abhishek; Patra, Niladri
err分享
err收藏
Transmembrane Phosphate/Chloride Antiport Activities of 2-Benzimidazolylthiourea Receptors
errLANGMUIR
IF3.9
err2022-05-24
err0
errOAAI
errBiswas, Oindrila; Akhtar, Nasim; Mazumder, Priyanka; Naskar, Avigyan; Pradhan, Nirmalya; Patra, Niladri; Kumar, Sachin; Manna, Debasis
err分享
err收藏

研究方向

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