About: Polar hydrogen positions in proteins: Empirical energy placement and neutron diffraction comparison

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scholarly article by Axel T. Brünger published in January 1988

Attributes	Values
rdf:type	Item
description	wetenschappelijk artikel (nl) наукова стаття, опублікована в 1988 (uk) im Januar 1988 veröffentlichter wissenschaftlicher Artikel (de) scholarly article by Axel T. Brünger published in January 1988 (en)
publication date	wds:Q57000556-A9090D22-EB92-4685-856E-E23982BC7916
publication date	1988-01-01 00:00:00Z (xsd:dateTime)
language of work or name	wds:Q57000556-285CA34A-E39E-41ED-AB2B-5C5B13CBF306
language of work or name	English
cites work	wds:Q57000556-071BF8B0-B7B8-480F-BA0D-63F74511007B wds:Q57000556-08980187-00A7-419B-A9C2-DBEFE0C63BEE wds:Q57000556-0DC958B5-41B9-41B5-B8D8-17949A7061E1 wds:Q57000556-1147835A-B41F-4C98-82D4-8610BFC8E4C2 wds:Q57000556-13866002-2595-4632-B4F5-3DEA481B724D wds:Q57000556-25A6FDCD-1FBA-47FF-AC41-DF74FD99AF4E wds:Q57000556-2A174150-14E8-4786-9309-598DC92C6E31 wds:Q57000556-2F651810-6539-46C2-A65C-C22F754FF8FC wds:Q57000556-3BEFA8A8-B5CA-4651-8420-4B8EC7E1FA7E wds:Q57000556-52437ED2-C85A-45C9-905F-298CEB255642 wds:Q57000556-7D123CAF-9096-45BA-8A3C-E8DA833E6EBB wds:Q57000556-8C3F9511-FE3F-431C-882D-9D223F7AFA89 wds:Q57000556-8EEBA58A-823C-463E-B474-17269612E0FC wds:Q57000556-921ABFB1-7172-4EA5-8241-3CCACF6C6638 wds:Q57000556-9F6B9ACC-B79D-4A70-B816-6E559FCC56B4 wds:Q57000556-A85E84A7-E582-43E3-9A6E-6D820CEC9123 wds:Q57000556-A8FFA731-36EB-458F-9E97-D8D67D69D788 wds:Q57000556-AE84C20C-D68C-4EF4-B5B0-A7D0D8039278 wds:Q57000556-B1FAF868-2491-4D68-9279-28B2A4374199 wds:Q57000556-D758269C-FE80-4899-8C8F-99A0B28A8B00 wds:Q57000556-DDC81873-9BA8-4785-A9AE-668AB8E051E4
cites work	A new force field for molecular mechanical simulation of nucleic acids and proteins Tertiary templates for proteins. Use of packing criteria in the enumeration of allowed sequences for different structural classes Structure of bovine pancreatic trypsin inhibitor. Results of joint neutron and X-ray refinement of crystal form II Molecular dynamics of native protein. I. Computer simulation of trajectories Conformation of amino acid side-chains in proteins Improved simulation of liquid water by molecular dynamics Sidechain torsional potentials and motion of amino acids in porteins: bovine pancreatic trypsin inhibitor Active site dynamics of ribonuclease Harmonic dynamics of proteins: normal modes and fluctuations in bovine pancreatic trypsin inhibitor Side-chain torsional potentials: effect of dipeptide, protein, and solvent environment Protein dynamics investigated by the neutron diffraction-hydrogen exchange technique. Dynamics of folded proteins CHARMM: A program for macromolecular energy, minimization, and dynamics calculations Comparison of simple potential functions for simulating liquid water Direct determination of the protonation states of aspartic acid-102 and histidine-57 in the tetrahedral intermediate of the serine proteases: neutron structure of trypsin Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes An all atom force field for simulations of proteins and nucleic acids Active site of RNase: neutron diffraction study of a complex with uridine vanadate, a transition-state analog Restart procedures for the conjugate gradient method Molecular dynamics of myoglobin at 298 degrees K. Results from a 300-ps computer simulation Molecular dynamics simulations of native and substrate-bound lysozyme. A study of the average structures and atomic fluctuations
author name string	wds:Q57000556-B2DC545F-7539-45A9-B40C-A4B4C34468B4
author name string	Axel T. Brünger
rdfs:label	Polar hydrogen positions in proteins: Empirical energy placement and neutron diffraction comparison (en) Polar hydrogen positions in proteins: Empirical energy placement and neutron diffraction comparison (nl)
skos:prefLabel	Polar hydrogen positions in proteins: Empirical energy placement and neutron diffraction comparison (en) Polar hydrogen positions in proteins: Empirical energy placement and neutron diffraction comparison (nl)
name	Polar hydrogen positions in proteins: Empirical energy placement and neutron diffraction comparison (en) Polar hydrogen positions in proteins: Empirical energy placement and neutron diffraction comparison (nl)
author	wds:Q57000556-085056C1-259E-4FE6-988B-587861A0904F
author	Martin Karplus
title	wds:Q57000556-144AA18E-D41F-4DEF-B295-FA75279723C9
title	Polar hydrogen positions in proteins: Empirical energy placement and neutron diffraction comparison (en)
page(s)	wds:Q57000556-9D1A6CD2-08E0-44B6-901D-DFBBDBAE952E
page(s)	148-156
instance of	wds:Q57000556-116F9141-E131-4EBE-9D25-2428002C45EB
instance of	scholarly article
main subject	wds:Q57000556-2D402A23-CBBA-4B9F-960B-6107B6D03678 wds:Q57000556-A9FC8DE5-D8BF-4198-819A-123CEE566368
main subject	molecular biology structural biology
PubMed ID	wds:Q57000556-FD751354-AF43-4B9F-A717-74ADC575AD58
PubMed ID	http://rdf.ncbi.nlm.nih.gov/pubchem/reference/3227015
PubMed ID	3227015
published in	wds:Q57000556-0309D2F8-3C27-4DD0-88C3-95BFA6D5FC13
published in	Proteins
issue	wds:Q57000556-6D4B657B-BC45-4CD6-9A32-53BAC84354ED
volume	wds:Q57000556-D828E8F3-D05B-4AF6-8688-1063EDF1D721
issue	2
volume	4
DOI	wds:Q57000556-BB3CEA1C-AAAC-4B59-8824-ECE4BA0BAD80
DOI	http://dx.doi.org/10.1002/PROT.340040208
DOI	10.1002/PROT.340040208
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q57000556
is cites work of	Hydrogen bond stereochemistry in protein structure and function Temperature dependence of dynamics of hydrated myoglobin. Comparison of force field calculations with neutron scattering data The catalytic mechanism of Drosophila alcohol dehydrogenase: evidence for a proton relay modulated by the coupled ionization of the active site Lysine/Tyrosine pair and a NAD+ ribose OH switch Gas access to the active site of Ni-Fe hydrogenases probed by X-ray crystallography and molecular dynamics. Explicit solvent models in protein pKa calculations. Structural basis for hijacking of cellular LxxLL motifs by papillomavirus E6 oncoproteins Photoactive yellow protein: a structural prototype for the three-dimensional fold of the PAS domain superfamily. A post-synaptic scaffold at the origin of the animal kingdom The contribution of phosphate-phosphate repulsions to the free energy of DNA bending Do salt bridges stabilize proteins? A continuum electrostatic analysis. The crystal structure of the AAA domain of the ATP-dependent protease FtsH of Escherichia coli at 1.5 A resolution Electrostatic calculations of the pKa values of ionizable groups in bacteriorhodopsin Hydroxyl hydrogen conformations in trypsin determined by the neutron diffraction solvent difference map method: relative importance of steric and electrostatic factors in defining hydrogen-bonding geometries Thermal unfolding molecular dynamics simulation of Escherichia coli dihydrofolate reductase: thermal stability of protein domains and unfolding pathway Product-assisted catalysis in base-excision DNA repair Rational cytokine design for increased lifetime and enhanced potency using pH-activated "histidine switching".

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