User profiles for T. P. Lybrand
Terry LybrandProfessor of Chemistry & Pharmacology, Vanderbilt University Verified email at vanderbilt.edu Cited by 5445 |
Ligand—protein docking and rational drug design
TP Lybrand - Current opinion in structural biology, 1995 - Elsevier
… Terry P Lybrand … Kontoyianni M, Lybrand TP: Three-dlmensional models for integral membrane
proteins: possibilities and … Ewing TJA, Lybrand TP: A comparison of perturbation methods …
proteins: possibilities and … Ewing TJA, Lybrand TP: A comparison of perturbation methods …
Streptavidin–biotin binding energetics
…, R To, D Hyre, I Le Trong, TP Lybrand… - Biomolecular …, 1999 - Elsevier
The high affinity energetics in the streptavidin–biotin system provide an excellent model
system for studying how proteins balance enthalpic and entropic components to generate an …
system for studying how proteins balance enthalpic and entropic components to generate an …
Water–water and water–ion potential functions including terms for many body effects
TP Lybrand, PA Kollman - The Journal of chemical physics, 1985 - pubs.aip.org
We have developed potential functions for water–water and water–ion interactions that
include terms to model nonadditive or many body effects. Using these potential functions, we …
include terms to model nonadditive or many body effects. Using these potential functions, we …
Theoretical calculation of relative binding affinity in host-guest systems.
TP Lybrand, JA McCammon… - Proceedings of the …, 1986 - National Acad Sciences
The relative free energy of binding the anions Cl- and Br- to the macrotricyclic receptor
SC24 in water has been computed by a computer simulation technique. This result and an …
SC24 in water has been computed by a computer simulation technique. This result and an …
An EF-hand in the sodium channel couples intracellular calcium to cardiac excitability
Sodium channels initiate the electrical cascade responsible for cardiac rhythm, and certain
life-threatening arrhythmias arise from Na + channel dysfunction. We propose a novel …
life-threatening arrhythmias arise from Na + channel dysfunction. We propose a novel …
Staggered mesh Ewald: an extension of the smooth particle-mesh Ewald method adding great versatility
…, RE Duke, TA Darden, TP Lybrand - Journal of chemical …, 2009 - ACS Publications
We draw on an old technique for improving the accuracy of mesh-based field calculations to
extend the popular Smooth Particle Mesh Ewald (SPME) algorithm as the Staggered Mesh …
extend the popular Smooth Particle Mesh Ewald (SPME) algorithm as the Staggered Mesh …
Streptavidin and its biotin complex at atomic resolution
I Le Trong, Z Wang, DE Hyre, TP Lybrand… - … Section D: Biological …, 2011 - scripts.iucr.org
Atomic resolution crystallographic studies of streptavidin and its biotin complex have been
carried out at 1.03 and 0.95 Ć, respectively. The wild-type protein crystallized with a tetramer …
carried out at 1.03 and 0.95 Ć, respectively. The wild-type protein crystallized with a tetramer …
Evoking picomolar binding in RNA by a single phosphorodithioate linkage
…, HM Liu, C Martinez, AK Sood, TP Lybrand… - Nucleic acids …, 2016 - academic.oup.com
RNA aptamers are synthetic oligonucleotide-based affinity molecules that utilize unique
three-dimensional structures for their affinity and specificity to a target such as a protein. They …
three-dimensional structures for their affinity and specificity to a target such as a protein. They …
Hydration of chloride and bromide anions: determination of relative free energy by computer simulation
TP Lybrand, I Ghosh… - journal of the american …, 1985 - ACS Publications
… Lybrand, Indira Ghosh, and J. Andrew McCammon* … (16) Lybrand, T. P.; McCammon, J.
A.; Wipff, G. … Lybrand, T. P.; Mazor, M.; McCammon, J. A., unpublished results. …
A.; Wipff, G. … Lybrand, T. P.; Mazor, M.; McCammon, J. A., unpublished results. …
Polymorphic amino acid variations in HLA-DQ are associated with systematic physical property changes and occurrence of IDDM
CB Sanjeevi, TP Lybrand, C DeWeese… - Diabetes, 1995 - Am Diabetes Assoc
The association between human leukocyte antigen (HLA) and insulin-dependent diabetes
was studied in a large population-based investigation using genotyping of 425 new-onset …
was studied in a large population-based investigation using genotyping of 425 new-onset …