Gordon Chalmers
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View article: Triceps Surae Ia Proprioceptive Weighting in Postural Control During Quiet Stance with Vision Occlusion
Triceps Surae Ia Proprioceptive Weighting in Postural Control During Quiet Stance with Vision Occlusion Open
Background: Visual, vestibular, proprioceptive and cutaneous sensory information is important for postural control during quiet stance. When the reliability of one source of sensory information used to detect self-motion for postural contr…
View article: Introducing ligand GA, a genetic algorithm molecular tool for automated protein inhibitor design
Introducing ligand GA, a genetic algorithm molecular tool for automated protein inhibitor design Open
Ligand GA is introduced in this work and approaches the problem of finding small molecules inhibiting protein functions by using the protein site to find close to optimal or optimal small molecule binders. Genetic algorithms (GA) are an ef…
View article: Computational molecular explanation of Soybean AHAS resistance from P197S mutation
Computational molecular explanation of Soybean AHAS resistance from P197S mutation Open
Crop management through the use of herbicides is an integral part of modern high-yield farming. The identification of resistant mutated strains of normal plants amongst a background of weeds is important to the usage of herbicides, their d…
View article: Computational molecular modeling of Paxlovid binding
Computational molecular modeling of Paxlovid binding Open
Computational binding modeling of the drug Paxlovid to the 3CL-protease of SARS-Cov-2 is presented. Paxlovid contains 2 molecule ingredients: Nirmatrelvir and Ritonavir. This is a detailed distributional analysis using docking of both smal…
View article: Dynamic docking in protein-ligand modeling
Dynamic docking in protein-ligand modeling Open
Large numbers of docking jobs are used in a distributional sense to obtain computational molecular non-covalent and covalent binding information of ligands to protein cavities. A numerically calculated density of binding states is generate…
View article: Ligand GA: a genetic algorithm for automated protein inhibitor design
Ligand GA: a genetic algorithm for automated protein inhibitor design Open
Ligand GA is introduced in this work and approaches the problem of finding small molecules inhibiting protein functions by using the protein site to find close to optimal or optimal small molecule binders. Genetic algorithms (GA) are an ef…
View article: Ligand GA: a genetic algorithm for automated protein inhibitor design
Ligand GA: a genetic algorithm for automated protein inhibitor design Open
Ligand GA is introduced in this work and approaches the problem of finding small molecules inhibiting protein functions by using the protein site to find close to optimal or optimal small molecule binders. Genetic algorithms (GA) are an ef…
View article: Computational Study of Paxlovid in Ligand GA
Computational Study of Paxlovid in Ligand GA Open
Ligand GA is used to generate potentially realistic inhibitors of the 3CL protease of the SARS-Cov-2 virus by starting with the Nirmatrelvir molecule and changing it. After post-processing of the molecules using an extensive set of docking…
View article: Ligand GA: a genetic algorithm for automated protein inhibitor design
Ligand GA: a genetic algorithm for automated protein inhibitor design Open
Ligand GA is introduced in this work and approaches the problem of finding small molecules inhibiting protein functions by using the protein site to find close to optimal or optimal small molecule binders. Genetic algorithms (GA) are an ef…
View article: A common binding motif in the ET domain of BRD3 forms polymorphic structural interfaces with host and viral proteins
A common binding motif in the ET domain of BRD3 forms polymorphic structural interfaces with host and viral proteins Open
Summary The extra-terminal (ET) domain of BRD3 is conserved among BET proteins (BRD2, BRD3, BRD4), interacting with multiple host and viral protein-protein networks. Solution NMR structures of complexes formed between BRD3-ET domain with e…
View article: Effect of a High-Intensity Isometric Potentiating Warm-up on Bat Velocity
Effect of a High-Intensity Isometric Potentiating Warm-up on Bat Velocity Open
Gilmore, SL, Brilla, LR, Suprak, DN, Chalmers, GR, and Dahlquist, DT. Effect of a high-intensity isometric potentiating warm-up on bat velocity. J Strength Cond Res 33(1): 152–158, 2019—This study examined the acute effect of a high-intens…
View article: Creatine-electrolyte supplementation improves repeated sprint cycling performance: A double blind randomized control study
Creatine-electrolyte supplementation improves repeated sprint cycling performance: A double blind randomized control study Open
Background Creatine supplementation is recommended as an ergogenic aid to improve repeated sprint cycling performance. Furthermore, creatine uptake is increased in the presence of electrolytes. Prior research examining the effect of a crea…
View article: Kinesio Tape and Shoulder-Joint Position Sense
Kinesio Tape and Shoulder-Joint Position Sense Open
Context Joint position sense (JPS) is a key neuromuscular factor for developing and maintaining control of muscles around a joint. It is important when performing specialized tasks, especially at the shoulder. No researchers have studied h…