717 results on '"Mark, Alan E."'
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152. Effect of High Pressure on Fully Hydrated DPPC and POPC Bilayers
153. Effect of Poly(ethylene glycol) (PEG) Spacers on the Conformational Properties of Small Peptides: A Molecular Dynamics Study
154. On the Relative Merits of Equilibrium and Non‐Equilibrium Simulations for the Estimation of Free‐Energy Differences
155. Challenges in the determination of the binding modes of non-standard ligands in X-ray crystal complexes
156. Activating the Prolactin Receptor: Effect of the Ligand on the Conformation of the Extracellular Domain
157. Simulation Studies of Peptide Induced Membrane Poration and Fusion
158. On the Validation of Molecular Dynamics Simulations of Saturated and cis-Monounsaturated Phosphatidylcholine Lipid Bilayers: A Comparison with Experiment
159. Turning the growth hormone receptor on: Evidence that hormone binding induces subunit rotation
160. A new force field for simulating phosphatidylcholine bilayers
161. Penrose-Hameroff orchestrated objective-reduction proposal for human consciousness is not biologically feasible
162. Factors That Affect the Degree of Twist in β-Sheet Structures: A Molecular Dynamics Simulation Study of a Cross-β Filament of the GNNQQNY Peptide
163. Alternative Mechanisms for the Interaction of the Cell-Penetrating Peptides Penetratin and the TAT Peptide with Lipid Bilayers
164. Probing the free energy landscape of the FBP28WW domain using multiple techniques
165. Disturb or Stabilize? A Molecular Dynamics Study of the Effects of Resorcinolic Lipids on Phospholipid Bilayers
166. Calcium binding to the purple membrane: A molecular dynamics study
167. Basic ingredients of free energy calculations: A review
168. Inclusion of ionization states of ligands in affinity calculations
169. The Cys3–Cys4 Loop of the Hydrophobin EAS Is Not Required for Rodlet Formation and Surface Activity
170. Toroidal pores formed by antimicrobial peptides show significant disorder
171. The Structure of a Two-Disulfide Intermediate Assists in Elucidating the Oxidative Folding Pathway of a Cyclic Cystine Knot Protein
172. Molecular simulation as an aid to experimentalists
173. Refining homology models by combining replica-exchange molecular dynamics and statistical potentials
174. Histidine protonation and the activation of viral fusion proteins
175. The conformation of the extracellular binding domain of Death Receptor 5 in the presence and absence of the activating ligand TRAIL: A molecular dynamics study
176. Molecular dynamics simulations from putative transition states of α-spectrin SH3 domain
177. Ion Transport across Transmembrane Pores
178. How Sensitive Are Nanosecond Molecular Dynamics Simulations of Proteins to Changes in the Force Field?
179. On the Characterization of Host−Guest Complexes: Surface Tension, Calorimetry, and Molecular Dynamics of Cyclodextrins with a Non-ionic Surfactant
180. Does isoprene protect plant membranes from thermal shock? A molecular dynamics study
181. Identificationof Possible Binding Sites for Morphineand Nicardipine on the Multidrug Transporter P-GlycoproteinUsing Umbrella Sampling Techniques.
182. The recognition of membrane-bound PtdIns3 P by PX domains.
183. The Role of Histidine Residues in Low-pH-Mediated Viral Membrane Fusion
184. Molecular dynamics simulations of the hydrophobin SC3 at a hydrophobic/hydrophilic interface
185. Conformational Polymorphism of the PrP106−126 Peptide in Different Environments: A Molecular Dynamics Study
186. S-7 : A new cytokine receptor activation paradigm: Activation of JAK2 by the growth hormone receptor
187. A Molecular Dynamics Study of the Formation, Stability, and Oligomerization State of Two Designed Coiled Coils: Possibilities and Limitations
188. GROMACS: Fast, flexible, and free
189. Simulation of gel phase formation and melting in lipid bilayers using a coarse grained model
190. Calculation of the Redox Potential of the Protein Azurin and Some Mutants
191. Stability of SIV gp32 Fusion‐Peptide Single‐Layer Protofibrils as Monitored by Molecular‐Dynamics Simulations
192. The effect of box shape on the dynamic properties of proteins simulated under periodic boundary conditions
193. Advanced approaches for the characterization of a de novo designed antiparallel coiled coil peptide
194. Simulation studies of pore and domain formation in a phospholipid monolayer
195. Molecular View of Hexagonal Phase Formation in Phospholipid Membranes
196. A molecular dynamics study of the structural stability of HIV-1 protease under physiological conditions: The role of Na+ ions in stabilizing the active site
197. Electrofreezing of confined water
198. Molecular Dynamics Simulations of Hydrophilic Pores in Lipid Bilayers
199. Molecular Dynamics Simulation of the Spontaneous Formation of a Small DPPC Vesicle in Water in Atomistic Detail
200. The Binary Mixing Behavior of Phospholipids in a Bilayer: A Molecular Dynamics Study
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