Impact of A2T and D23N mutations on C99 homodimer conformations von Lu, Yan, Salsbury, Freddie R., Derreumaux, Philippe

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Molecular dynamics simulations of protein dynamics and their relevance to drug discovery von Salsbury, Freddie R

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Unraveling the Role of Hydrogen Bonds in Thrombin via Two Machine Learning Methods von Wu, Dizhou, Salsbury, Freddie R.

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TREX1 as a Novel Immunotherapeutic Target von Hemphill, Wayne O., Simpson, Sean R., Liu, Mingyong, Salsbury, Freddie R., Hollis, Thomas, Grayson, Jason M., Perrino, Fred W.

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Mechanistic insights into thrombin's switch between "slow" and "fast" forms von Xiao, Jiajie, Melvin, Ryan L, Salsbury, Freddie R

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Light Chain Mutation Effects on the Dynamics of Thrombin von Wu, Dizhou, Xiao, Jiajie, Salsbury, Freddie R

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Allosteric Modulation of Thrombin by Thrombomodulin: Insights from Logistic Regression and Statistical Analysis of Molecular Dynamics Simulations von Wu, Dizhou, Salsbury, Freddie R.

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New analytic approximation to the standard molecular volume definition and its application to generalized Born calculations von Lee, Michael S., Feig, Michael, Salsbury Jr, Freddie R., Brooks III, Charles L.

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Constant-pH molecular dynamics using continuous titration coordinates von Lee, Michael S., Salsbury Jr, Freddie R., Brooks III, Charles L.

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Experimentally Dissecting the Origins of Peroxiredoxin Catalysis von Nelson, Kimberly J, Perkins, Arden, Van Swearingen, Amanda E D, Hartman, Steven, Brereton, Andrew E, Parsonage, Derek, Salsbury, Jr, Freddie R, Karplus, P Andrew, Poole, Leslie B

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Simulations suggest double sodium binding induces unexpected conformational changes in thrombin von Wu, Dizhou, Salsbury, Freddie R.

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Influence of electric field on the amyloid-β(29-42) peptides embedded in a membrane bilayer von Lu, Yan, Shi, Xiao-Feng, Salsbury, Freddie R., Derreumaux, Philippe

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Small static electric field strength promotes aggregation-prone structures in amyloid-β(29-42) von Lu, Yan, Shi, Xiao-Feng, Salsbury, Freddie R., Derreumaux, Philippe

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Amyloid-β(29–42) Dimeric Conformations in Membranes Rich in Omega‑3 and Omega‑6 Polyunsaturated Fatty Acids von Lu, Yan, Shi, Xiao-Feng, Nguyen, Phuong H, Sterpone, Fabio, Salsbury, Freddie R, Derreumaux, Philippe

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Uncovering Large-Scale Conformational Change in Molecular Dynamics without Prior Knowledge von Melvin, Ryan L, Godwin, Ryan C, Xiao, Jiajie, Thompson, William G, Berenhaut, Kenneth S, Salsbury, Freddie R

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Binding Site Configurations Probe the Structure and Dynamics of the Zinc Finger of NEMO (NF-κB Essential Modulator) von Godwin, Ryan C, Melvin, Ryan L, Gmeiner, William H, Salsbury, Freddie R

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Visualizing ensembles in structural biology von Melvin, Ryan L., Salsbury, Freddie R.

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An efficient hybrid explicit/implicit solvent method for biomolecular simulations von Lee, Michael S., Salsbury Jr, Freddie R., Olson, Mark A.

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All-Atom Molecular Dynamics Reveals Mechanism of Zinc Complexation with Therapeutic F10 von Melvin, Ryan L, Gmeiner, William H, Salsbury, Freddie R

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Visualizing correlated motion with HDBSCAN clustering von Melvin, Ryan L., Xiao, Jiajie, Godwin, Ryan C., Berenhaut, Kenneth S., Salsbury, Freddie R.

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