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引用“”的文章Molecular Dynamics Simulation for All

标题/作者	年份
Structural and molecular modelling studies reveal a new mechanism of action of chloroquine and hydroxychloroquine against SARS-CoV-2 infection J Fantini, C Di Scala, H Chahinian, N Yahi International journal of antimicrobial agents 55 (5), 105960	2020
Moltemplate: A tool for coarse-grained modeling of complex biological matter and soft condensed matter physics AI Jewett, D Stelter, J Lambert, SM Saladi, OM Roscioni, M Ricci, L Autin, ... Journal of molecular biology 433 (11), 166841	2021
Directed evolution: methodologies and applications Y Wang, P Xue, M Cao, T Yu, ST Lane, H Zhao Chemical reviews 121 (20), 12384-12444	2021
Molecular docking, validation, dynamics simulations, and pharmacokinetic prediction of natural compounds against the SARS-CoV-2 main-protease C Shivanika, D Kumar, V Ragunathan, P Tiwari, A Sumitha Journal of biomolecular structure & dynamics, 1	2020
Deep learning in protein structural modeling and design W Gao, SP Mahajan, J Sulam, JJ Gray Patterns 1 (9)	2020
Synergistic antiviral effect of hydroxychloroquine and azithromycin in combination against SARS-CoV-2: What molecular dynamics studies of virus-host interactions reveal J Fantini, H Chahinian, N Yahi International journal of antimicrobial agents 56 (2), 106020	2020
Molecular dynamics simulations in drug discovery and pharmaceutical development OMH Salo-Ahen, I Alanko, R Bhadane, AMJJ Bonvin, RV Honorato, ... Processes 9 (1), 71	2020
An overview of molecular modeling for drug discovery with specific illustrative examples of applications M Aminpour, C Montemagno, JA Tuszynski Molecules 24 (9), 1693	2019
Understanding the binding affinity of noscapines with protease of SARS-CoV-2 for COVID-19 using MD simulations at different temperatures D Kumar, K Kumari, A Jayaraj, V Kumar, RV Kumar, SK Dass, R Chandra, ... Journal of Biomolecular Structure and Dynamics 39 (7), 2659-2672	2021
Structure of fish Toll-like receptors (TLR) and NOD-like receptors (NLR) BR Sahoo International journal of biological macromolecules 161, 1602-1617	2020
Performance-based screening of porous materials for carbon capture AH Farmahini, S Krishnamurthy, D Friedrich, S Brandani, L Sarkisov Chemical Reviews 121 (17), 10666-10741	2021
Gaussian accelerated molecular dynamics: Principles and applications J Wang, PR Arantes, A Bhattarai, RV Hsu, S Pawnikar, YM Huang, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 11 (5), e1521	2021
Ligand binding free energy and kinetics calculation in 2020 V Limongelli Wiley Interdisciplinary Reviews: Computational Molecular Science 10 (4), e1455	2020
An updated review of computer-aided drug design and its application to COVID-19 AB Gurung, MA Ali, J Lee, MA Farah, KM Al-Anazi BioMed research international 2021	2021
Anton 3: twenty microseconds of molecular dynamics simulation before lunch DE Shaw, PJ Adams, A Azaria, JA Bank, B Batson, A Bell, M Bergdorf, ... Proceedings of the International Conference for High Performance Computing …	2021
Large-scale conformational changes and protein function: breaking the in silico barrier L Orellana Frontiers in molecular biosciences 6, 117	2019
Trends in predictive biodegradation for sustainable mitigation of environmental pollutants: Recent progress and future outlook AK Singh, M Bilal, HMN Iqbal, A Raj Science of The Total Environment 770, 144561	2021
Recent advances in coarse-grained models for biomolecules and their applications N Singh, W Li International Journal of Molecular Sciences 20 (15), 3774	2019
Study on the mechanical properties of rubber asphalt by molecular dynamics simulation F Guo, J Zhang, J Pei, B Zhou, Z Hu Journal of molecular modeling 25, 1-8	2019
How to learn from inconsistencies: Integrating molecular simulations with experimental data S Orioli, AH Larsen, S Bottaro, K Lindorff-Larsen Progress in Molecular Biology and Translational Science 170, 123-176	2020

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