1,575 results on '"Smith, Jeremy C."'
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52. Broadband Wide-Angle VElocity Selector (BWAVES) neutron spectrometer designed for the SNS Second Target Station
53. Reply to: Insufficient evidence for ageing in protein dynamics
54. Mechanism of a proton pump analyzed with computer simulations
55. Structure, Dynamics and Reactions of Protein Hydration Water
56. Explicit atom deuterium contrast matching for small-angle neutron scattering on biomolecular systems
57. Pose prediction accuracy in ligand docking to RNA
58. Quantum Chemistry-Driven Machine Learning Approach for the Prediction of the Surface Tension and Speed of Sound in Ionic Liquids
59. Is the First Hydration Shell of Lysozyme of Higher Density Than Bulk Water?
60. Structure-based design of broadly protective group a streptococcal M protein-based vaccines
61. Foreword
62. Polycystin-1 interacts with TAZ to stimulate osteoblastogenesis and inhibit adipogenesis
63. Catalysis of Ground State cis→trans Isomerization of Bacteriorhodopsin’s Retinal Chromophore by a Hydrogen-Bond Network
64. SCOMAP-XD: atomistic deuterium contrast matching for small-angle neutron scattering in biology
65. Data from Antitumor T-cell Immunity Contributes to Pancreatic Cancer Immune Resistance
66. Supplementary Tables and Figures from Antitumor T-cell Immunity Contributes to Pancreatic Cancer Immune Resistance
67. Dissecting Phenotype from Genotype with Clinical Isolates of SARS-CoV-2 First Wave Variants
68. Ensemble-based docking: From hit discovery to metabolism and toxicity predictions
69. A Structural Study of CESA1 Catalytic Domain of Arabidopsis Cellulose Synthesis Complex: Evidence for CESA Trimers
70. Disordered Domain Shifts the Conformational Ensemble of the Folded Regulatory Domain of the Multidomain Oncoprotein c-Src
71. Theoretical and Simulated Capacity of Urban Air Mobility Airspace Characteristics
72. Effect of Airspace Characteristics on Urban Air Mobility Airspace Capacity
73. Amphiphilic Co-Solvents Modulate the Structure of Membrane Domains
74. Accurate prediction of carbon dioxide capture by deep eutectic solvents using quantum chemistry and a neural network
75. HLA Class I Supertype Classification Based on Structural Similarity
76. Tri-peptide reference structures for the calculation of relative solvent accessible surface area in protein amino acid residues
77. Speed vs Accuracy: Effect on Ligand Pose Accuracy of Varying Box Size and Exhaustiveness in AutoDock Vina
78. Structure and Dynamics of Biological Systems: Integration of Neutron Scattering with Computer Simulation
79. Contracting for Availability and Capability in the Defence Environment
80. Modeling the partitioning of amphiphilic molecules and co-solvents in biomembranes
81. Differential Boric Acid and Water Transport in Type I and Type II Pores of Arabidopsis Nodulin 26-Intrinsic Proteins
82. Ensemble docking to difficult targets in early‐stage drug discovery: Methodology and application to fibroblast growth factor 23
83. Transition Networks: A Unifying Theme for Molecular Simulation and Computer Science
84. Jörg Langowski: his scientific legacy and the future it promises
85. Clustering Analysis of Competitive Learning Network for Molecular Data
86. Self-Organizing Map Clustering Analysis for Molecular Data
87. The dynamics of single protein molecules is non-equilibrium and self-similar over thirteen decades in time
88. Identification of Small-Molecule Inhibitors of Fibroblast Growth Factor 23 Signaling via In Silico Hot Spot Prediction and Molecular Docking to α-Klotho
89. Chemical and Morphological Structure of Transgenic Switchgrass Organosolv Lignin Extracted by Ethanol, Tetrahydrofuran, and γ-Valerolactone Pretreatments
90. Structure-based identification of novel histone deacetylase 4 (HDAC4) inhibitors
91. Conformational Transitions in Proteins and Membranes
92. Protein Dynamics: Glass Transition and Mechanical Function
93. The Glass Transition in Proteins
94. From Sequence to Structure and Function : Modelling and Simulation of Light-Activated Membrane Proteins
95. Computer Simulation of Protein Unfolding
96. The Genetic Basis for Bacterial Mercury Methylation
97. Speed vs Accuracy: Effect on Ligand Pose Accuracy of Varying Box Size and Exhaustiveness in AutoDock Vina.
98. Reorientation and Dimerization of the Membrane-Bound Antimicrobial Peptide PGLa from Microsecond All-Atom MD Simulations
99. Structural patterns in class 1 major histocompatibility complex‐restricted nonamer peptide binding to T‐cell receptors
100. Hit Expansion of a Noncovalent SARS-CoV-2 Main Protease Inhibitor
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