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- Currently displaying 15061 - 15080 of 30651 publications
Force-field dependence of chignolin folding and misfolding: comparison with experiment and redesign.
Biophysical journal
(2012)
102
1897
(doi: 10.1016/j.bpj.2012.03.024)
Quantifying homo- and heteromolecular hydrogen bonds as a guide for adduct formation
Chemistry (Weinheim an der Bergstrasse, Germany)
(2012)
18
6835
(doi: 10.1002/chem.201103129)
A core subunit of Polycomb repressive complex 1 is broadly conserved in function but not primary sequence.
Proceedings of the National Academy of Sciences
(2012)
109
e1063
(doi: 10.1073/pnas.1118678109)
Prediction of invasion from the early stage of an epidemic.
Journal of The Royal Society Interface
(2012)
9
2085
(doi: 10.1098/rsif.2012.0130)
Highly Efficient Ring-Opening Reaction of Azlactone-Based Copolymer Platforms for the Design of Functionalized Materials
Macromol Rapid Commun
(2012)
33
848
(doi: 10.1002/marc.201200063)
Facile backbone (1H, 15N, 13Ca, and 13C') assignment of 13C/15N-labeled proteins using orthogonal projection planes of HNN and HN(C)N experiments and its automation.
Magnetic Resonance in Chemistry
(2012)
50
357
(doi: 10.1002/mrc.3801)
Intrinsic disorder modulates protein self-assembly and aggregation.
Proc Natl Acad Sci U S A
(2012)
109
6951
(doi: 10.1073/pnas.1118048109)
Discovery of potent dual inhibitors of both XIAP and cIAP1 using fragment based drug discovery
Cancer Research
(2012)
72
2018
Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 1. Generalized Born
J Chem Theory Comput
(2012)
8
1542
(doi: 10.1021/ct200909j)
Design, synthesis and biological evaluation of non-natural modulators of quorum sensing in Pseudomonas aeruginosa
Organic and Biomolecular Chemistry
(2012)
10
6032
(doi: 10.1039/c2ob25198a)
Analytical evaluation of Fukui functions and real-space linear response function.
Journal of Chemical Physics
(2012)
136
144110
(doi: 10.1063/1.3701562)
Expanding the tools available for direct ortho cupration – targeting lithium phosphidocuprates
Dalton transactions (Cambridge, England : 2003)
(2012)
41
6148
(doi: 10.1039/c2dt12415g)
Predicting cavity formation free energy: how far is the Gaussian approximation valid?
Physical chemistry chemical physics : PCCP
(2012)
14
6996
(doi: 10.1039/c2cp00046f)
Diversity-oriented synthesis: producing chemical tools for dissecting biology.
Chem Soc Rev
(2012)
41
4444
(doi: 10.1039/c2cs35023h)
Corrigendum: The BioPAX community standard for pathway data sharing.
Nature Biotechnology
(2012)
30
365
(doi: 10.1038/nbt0412-365c)
Supramolecular Chemistry
(2012)
4
1575
Staphylococcal biofilm-forming protein has a contiguous rod-like structure
Proceedings of the National Academy of Sciences
(2012)
109
e1011
(doi: 10.1073/pnas.1119456109)
Nature and Structure of Aluminum Surface Sites Grafted on Silica from a Combination of High-Field Aluminum-27 Solid-State NMR Spectroscopy and First-Principles Calculations
J Am Chem Soc
(2012)
134
6767
(doi: 10.1021/ja3008566)
Pharmaceutical crystallography: Is there a devil in the details?
CrystEngComm
(2012)
14
2363
(doi: 10.1039/c2ce06662a)