I. Alberts

发表

Receptor flexibility in de novo ligand design and docking.

N. P. Todorov, I. Alberts, P. Dean, 2005, Journal of medicinal chemistry.

Ligand docking and design in a flexible receptor site

Philip M. Dean, Per Källblad, I. Alberts, 2005 .

De novo ligand design to an ensemble of protein structures

N. P. Todorov, I. Alberts, N. P. Todorov, 2006, Proteins.

Analysis of zinc binding sites in protein crystal structures

K Nadassy, S. Wodak, I. Alberts, 1998, Protein science : a publication of the Protein Society.

Standard atomic volumes in double-stranded DNA and packing in protein--DNA interfaces.

I Tomás-Oliveira, K Nadassy, J. Janin, 2001, Nucleic acids research.

C3+ is bent

H. Schaefer, I. Alberts, R. S. Grev, 1990 .

C3+ is bent [Erratum to document cited in CA112(21):197251t]

H. Schaefer, I. Alberts, R. S. Grev, 1990 .

QUASI: A Novel Method for Simultaneous Superposition of Multiple Flexible Ligands and Virtual Screening Using Partial Similarity.

N. P. Todorov, I. Alberts, P. Dean, 2007 .

The boron—carbon triple bond (B̄C): Some theoretical predictions

H. Schaefer, I. Alberts, 1990 .

The second stable conformer of 1,3-butadiene. Geometry optimizations with configuration interaction and coupled cluster methods

I. Alberts, H. F. Schaeffer, 1989 .

Stationary points on the potential energy surfaces of (C2H2)2, (C2H2)3, and (C2H4)2

I. Alberts, N. Handy, T. W. Rowlands, 1988 .

Structure of type I and type III heterotypic collagen fibrils: an X-ray diffraction study.

I. Alberts, T. Wess, G. Cameron, 2002, Journal of structural biology.

Surface plasmon resonance imaging for medical and biosensing

A. Ray, I. Alberts, J. D. de Bruijn, 2009, 2009 IEEE Sensors.

John Hunter – A very modern military surgeon

I. Alberts, 2011 .

Chapter 11. Theoretical organic chemistry

I. Alberts, 1999 .

Microfocus Small Angle X-ray Scattering Reveals Structural Features in Archaeological Bone Samples; Detection of Changes in Bone Mineral Habit and Size

I. Alberts, A. Chamberlain, M. Drakopoulos, 2002, Calcified Tissue International.

Chapter 10. Theoretical organic chemistry

I. Alberts, 1998 .

Mechanistic study of the electrocyclic ring-opening reaction of thiirane

H. Schaefer, I. Alberts, J. Fowler, 1991 .

Mo/ller–Plesset third order calculations with large basis sets

I. Alberts, N. Handy, 1988 .

The structure and harmonic vibrational frequencies of the weakly bound complexes formed by HF with CO, CO2 and N2O

I. Alberts, N. Handy, E. Simandiras, 1988 .

DNA Polymerase β Catalysis: Are Different Mechanisms Possible?

T. Schlick, Yanli Wang, I. Alberts, 2007 .

DNA polymerase beta catalysis: are different mechanisms possible?

T. Schlick, Yanli Wang, I. Alberts, 2007, Journal of the American Chemical Society.

Idiopathic Orofacial Pain: A Review

I. Alberts, 2008 .

Molecular Structures of Methyldifluoroarsine, CH(3)AsF(2), and Dimethylfluoroarsine, (CH(3))(2)AsF, in the Gas Phase As Determined by Electron Diffraction and ab InitioCalculations.

H. Robertson, I. Alberts, A. J. Downs, 1996, Inorganic chemistry.

Interpretation of excited state Hartree–Fock analytic derivative anomalies for NO2 and HCO2 using the molecular orbital Hessian

H. Schaefer, Y. Yamaguchi, I. Alberts, 1991 .

Geometrical structures and vibrational frequencies of the energetically low‐lying isomers of SiC3

H. Schaefer, I. Alberts, R. S. Grev, 1990 .

The electronic spectrum of NS2 : Low‐lying quartet states

H. Schaefer, Y. Yamaguchi, I. Alberts, 1991 .

Use of the molecular orbital Hessian for self-consistent-field (SCF) wavefunctions

H. Schaefer, Y. Yamaguchi, I. Alberts, 1990 .

The electronic spectra of SNS. Low‐lying doublet states

H. Schaefer, Y. Yamaguchi, I. Alberts, 1990 .

A study of nitrosyl fluoride

I. Alberts, N. Handy, P. Palmieri, 1986 .

Structural manipulation of aporphines via C10 nitrogenation leads to the identification of new 5-HT7AR ligands.

I. Alberts, W. Harding, H. Namballa, 2020, Bioorganic & medicinal chemistry.

Tetrahydroprotoberberine alkaloids with dopamine and σ receptor affinity.

Satishkumar V. Gadhiya, I. Alberts, W. Harding, 2016, Bioorganic & medicinal chemistry.

11 Theoretical organic chemistry

I. Alberts, 2000 .

On the molecular pathology of neurodegeneration in IMPDH1-based retinitis pigmentosa.

I. Alberts, A. Kennan, A. Aherne, 2004, Human molecular genetics.

Computational approaches for fragment-based and de novo design.

Woody Sherman, Kathryn Loving, Ian Alberts, 2010, Current topics in medicinal chemistry.

Molecular structure of 1-(dichloroboryl)pentaborane(9), in the gas phase as determined by electron diffraction and supported by theoretical calculations

H. Robertson, I. Alberts, P. Schleyer, 1995 .

The effect of tightly bound water molecules on the structural interpretation of ligand-derived pharmacophore models

Ricardo L. Mancera, David G. Lloyd, Nikolay P. Todorov, 2004, J. Comput. Aided Mol. Des..

4.13 – De Novo Design

Philip M. Dean, N. P. Todorov, I. L. Alberts, 2007 .

Calcium–iron–phosphate features in archaeological sediments: characterization through microfocus synchrotron X-ray scattering analyses

I. Alberts, I. Simpson, T. Wess, 2004 .

Identification of C10 nitrogen-containing aporphines with dopamine D1 versus D5 receptor selectivity.

I. Alberts, W. Harding, H. Namballa, 2020, Bioorganic & medicinal chemistry letters.

Synthesis and evaluation of aporphine analogs containing C1 allyl isosteres at the h5-HT(2A) receptor.

I. Alberts, W. Harding, S. Ponnala, 2015, Bioorganic & medicinal chemistry letters.

Synthesis and dopamine receptor pharmacological evaluations on ring C ortho halogenated 1-phenylbenzazepines.

I. Alberts, W. Harding, R. Giri, 2020, Bioorganic & medicinal chemistry letters.

Synthesis, pharmacological evaluations and molecular docking studies on a new 1,3,4,11b-tetrahydro-1H-fluoreno[9,1-cd]azepine framework: rigidification of D1 receptor selective 1-phenylbenzazepines and discovery of a new 5-HT6 receptor scaffold.

I. Alberts, W. Harding, R. Giri, 2020, Chemical biology & drug design.

Synthesis and evaluation of C9 alkoxy analogues of (-)-stepholidine as dopamine receptor ligands.

Satishkumar V. Gadhiya, I. Alberts, W. Harding, 2017, European journal of medicinal chemistry.

QUASI: A Novel Method for Simultaneous Superposition of Multiple Flexible Ligands and Virtual Screening Using Partial Similarity

Philip M. Dean, Iwan J. P. de Esch, Nikolay P. Todorov, 2007, J. Chem. Inf. Model..

The Influence of Variations of Ligand Protonation and Tautomerism on Protein-Ligand Recognition and Binding Energy Landscape

Nikolay P. Todorov, Philippe H. Monthoux, Ian L. Alberts, 2006, J. Chem. Inf. Model..