受强制性开放获取政策约束的文章 - Nandan Kumar, Ph. D.,了解详情
无法在其他位置公开访问的文章：3 篇
Towards developing a criterion to characterize non-covalent bonds: a quantum mechanical study
N Kumar, S Saha, GN Sastry
Physical Chemistry Chemical Physics 23 (14), 8478-8488, 2021
强制性开放获取政策： Department of Science & Technology, India
Binding propensity and selectivity of cationic, anionic, and neutral guests with model hydrophobic hosts: A first principles study
YB Kumar, A Pandey, N Kumar, GN Sastry
Journal of Computational Chemistry 44 (3), 432-441, 2023
强制性开放获取政策： Council of Scientific and Industrial Research, India, Department of …
First-principles calculations on the micro-solvation of 3d-transition metal ions: solvation versus splitting water
Y Bhargav Kumar, N Kumar, G Narahari Sastry
Theoretical Chemistry Accounts 142 (4), 35, 2023
强制性开放获取政策： Council of Scientific and Industrial Research, India, Department of …
可在其他位置公开访问的文章：12 篇
A perspective on the nature of cation-π interactions
N Kumar, AS Gaur, GN Sastry
Journal of Chemical Sciences 133, 1-13, 2021
强制性开放获取政策： Department of Science & Technology, India
Assessing therapeutic potential of molecules: molecular property diagnostic suite for tuberculosis
AS Gaur, A Bhardwaj, A Sharma, L John, MR Vivek, N Tripathi, ...
Journal of Chemical Sciences 129, 515-531, 2017
强制性开放获取政策： Council of Scientific and Industrial Research, India, Department of …
Repurposing of approved drug molecules for viral infectious diseases: a molecular modelling approach
N Kumar, H Sarma, GN Sastry
Journal of Biomolecular Structure and Dynamics 40 (17), 8056-8072, 2022
强制性开放获取政策： Department of Science & Technology, India
Study of lipid heterogeneity on bilayer membranes using molecular dynamics simulations
N Kumar, GN Sastry
Journal of Molecular Graphics and Modelling 108, 108000, 2021
强制性开放获取政策： Department of Science & Technology, India
Towards systematic exploration of chemical space: building the fragment library module in molecular property diagnostic suite
AS Gaur, L John, N Kumar, MR Vivek, S Nagamani, HJ Mahanta, ...
Molecular Diversity 27 (3), 1459-1468, 2023
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6-Ethoxy-4-N-(2-morpholin-4-ylethyl)-2-N-propan-2-yl-1, 3, 5-triazine-2, 4-diamine endows herbicidal activity against Phalaris minor a weed of wheat crop field: an in-silico …
N Kumar, P Rani, S Agarwal, DV Singh
Journal of Molecular Modeling 28 (4), 77, 2022
强制性开放获取政策： Department of Science & Technology, India
Fate of Sc-ion interaction with water: a computational study to address splitting water versus solvating Sc ion
N Kumar, YB Kumar, H Sarma, GN Sastry
Frontiers in Chemistry 9, 738852, 2021
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Tracing the transition from covalent to non-covalent functionalization of pyrene through C-, N-, and O-based ionic and radical substrates using quantum mechanical calculations
A Pandey, N Kumar
RSC advances 13 (21), 14119-14130, 2023
强制性开放获取政策： Department of Biotechnology, India
Analyzing the cation‐aromatic interactions in proteins: Cation‐aromatic database V2. 0
YB Kumar, N Kumar, L John, HJ Mahanta, S Vaikundamani, S Nagamani, ...
Proteins: Structure, Function, and Bioinformatics 92 (2), 179-191, 2024
强制性开放获取政策： Department of Biotechnology, India
Analyzing the aromatic-aromatic interactions in proteins: A2ID 2.0
YB Kumar, N Kumar, S Vaikundamani, S Nagamani, HJ Mahanta, ...
International Journal of Biological Macromolecules 253, 127207, 2023
强制性开放获取政策： Department of Biotechnology, India
Molecular Property Diagnostic Suite Compound Library (MPDS-CL): a structure-based classification of the chemical space
L John, S Nagamani, HJ Mahanta, S Vaikundamani, N Kumar, A Kumar, ...
Molecular Diversity, 1-17, 2023
强制性开放获取政策： Department of Biotechnology, India
Molecular Property Diagnostic Suite for COVID-19 (MPDSCOVID-19): an open-source disease-specific drug discovery portal
L Priyadarsinee, E Jamir, S Nagamani, HJ Mahanta, N Kumar, L John, ...
GigaByte 2024, 2024
强制性开放获取政策： Council of Scientific and Industrial Research, India, Department of …
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