Shahidul Islam to Molecular Dynamics Simulation
This is a "connection" page, showing publications Shahidul Islam has written about Molecular Dynamics Simulation.
Connection Strength
3.257
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Islam SM, Hasan MM, Alam J, Dey A, Molineaux D. In Silico Screening, Molecular Dynamics Simulation and Binding Free Energy Identify Single-Point Mutations That Destabilize p53 and Reduce Binding to DNA. Proteins. 2025 Feb; 93(2):498-514.
Score: 0.786
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Almanasra A, Havranek B, Islam SM. In-silico screening and microsecond molecular dynamics simulations to identify single point mutations that destabilize ?-hexosaminidase A causing Tay-Sachs disease. Proteins. 2021 11; 89(11):1587-1601.
Score: 0.633
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Islam SM, Havranek B, Ibnat Z, Roy PN. New Insights into the Role of Hydrogen Bonding in Furanoside Binding to Protein. J Phys Chem B. 2020 03 12; 124(10):1919-1927.
Score: 0.574
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Roux B, Islam SM. Restrained-ensemble molecular dynamics simulations based on distance histograms from double electron-electron resonance spectroscopy. J Phys Chem B. 2013 May 02; 117(17):4733-9.
Score: 0.356
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Lopez A, Havranek B, Papadantonakis GA, Islam SM. In silico screening and molecular dynamics simulation of deleterious PAH mutations responsible for phenylketonuria genetic disorder. Proteins. 2021 06; 89(6):683-696.
Score: 0.153
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Havranek B, Islam SM. Prediction and evaluation of deleterious and disease causing non-synonymous SNPs (nsSNPs) in human NF2 gene responsible for neurofibromatosis type 2 (NF2). J Biomol Struct Dyn. 2021 11; 39(18):7044-7055.
Score: 0.148
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Qi Y, Lee J, Cheng X, Shen R, Islam SM, Roux B, Im W. CHARMM-GUI DEER facilitator for spin-pair distance distribution calculations and preparation of restrained-ensemble molecular dynamics simulations. J Comput Chem. 2020 02 15; 41(5):415-420.
Score: 0.138
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Shen R, Han W, Fiorin G, Islam SM, Schulten K, Roux B. Structural Refinement of Proteins by Restrained Molecular Dynamics Simulations with Non-interacting Molecular Fragments. PLoS Comput Biol. 2015 Oct; 11(10):e1004368.
Score: 0.106
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Islam SM, Roux B. Simulating the distance distribution between spin-labels attached to proteins. J Phys Chem B. 2015 Mar 12; 119(10):3901-11.
Score: 0.101
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Jo S, Cheng X, Islam SM, Huang L, Rui H, Zhu A, Lee HS, Qi Y, Han W, Vanommeslaeghe K, MacKerell AD, Roux B, Im W. CHARMM-GUI PDB manipulator for advanced modeling and simulations of proteins containing nonstandard residues. Adv Protein Chem Struct Biol. 2014; 96:235-65.
Score: 0.098
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Islam SM, Stein RA, McHaourab HS, Roux B. Structural refinement from restrained-ensemble simulations based on EPR/DEER data: application to T4 lysozyme. J Phys Chem B. 2013 May 02; 117(17):4740-54.
Score: 0.089
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Holmes J, Islam SM, Milligan KA. Exploring Cannabinoids as Potential Inhibitors of SARS-CoV-2 Papain-like Protease: Insights from Computational Analysis and Molecular Dynamics Simulations. Viruses. 2024 05 30; 16(6).
Score: 0.048
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Matthies D, Dalmas O, Borgnia MJ, Dominik PK, Merk A, Rao P, Reddy BG, Islam S, Bartesaghi A, Perozo E, Subramaniam S. Cryo-EM Structures of the Magnesium Channel CorA Reveal Symmetry Break upon Gating. Cell. 2016 Feb 11; 164(4):747-56.
Score: 0.027