Marc C Nicklaus
Overview
Explore the profile of Marc C Nicklaus including associated specialties, affiliations and a list of published articles.
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88
Citations
1303
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Recent Articles
1.
Dhaked D, Nicklaus M
J Chem Inf Model
. 2024 Sep;
64(19):7409-7421.
PMID: 39314089
We have analyzed 40 different databases ranging in size from a few thousand to nearly 100 million molecules, comprising a total of over 210 million structures, for their tautomeric conflicts....
2.
Dhaked D, Nicklaus M
Expert Opin Drug Discov
. 2024 Jul;
19(9):1011-1016.
PMID: 39014878
No abstract available.
3.
Song R, Nicklaus M, Tarasova N
J Comput Aided Mol Des
. 2024 May;
38(1):22.
PMID: 38753096
Although the size of virtual libraries of synthesizable compounds is growing rapidly, we are still enumerating only tiny fractions of the drug-like chemical universe. Our capability to mine these newly...
4.
Bonilla P, Hoop C, Stefanisko K, Tarasov S, Sinha S, Nicklaus M, et al.
Front Oncol
. 2023 May;
13:1144153.
PMID: 37182134
STAT3 N-terminal domain is a promising molecular target for cancer treatment and modulation of immune responses. However, STAT3 is localized in the cytoplasm, mitochondria, and nuclei, and thus, is inaccessible...
5.
Rarey M, Nicklaus M, Warr W
J Chem Inf Model
. 2022 May;
62(9):2009-2010.
PMID: 35527682
No abstract available.
6.
Warr W, Nicklaus M, Nicolaou C, Rarey M
J Chem Inf Model
. 2022 Apr;
62(9):2021-2034.
PMID: 35421301
Designing new medicines more cheaply and quickly is tightly linked to the quest of exploring chemical space more widely and efficiently. Chemical space is monumentally large, but recent advances in...
7.
DeLaitsch A, Pridgen J, Tytla A, Peach M, Hu R, Farnsworth D, et al.
J Am Chem Soc
. 2022 Mar;
144(11):4925-4941.
PMID: 35282679
Germline antibodies, the initial set of antibodies produced by the immune system, are critical for host defense, and information about their binding properties can be useful for designing vaccines, understanding...
8.
Jain S, Siramshetty V, Alves V, Muratov E, Kleinstreuer N, Tropsha A, et al.
J Chem Inf Model
. 2021 Feb;
61(2):653-663.
PMID: 33533614
Computational methods to predict molecular properties regarding safety and toxicology represent alternative approaches to expedite drug development, screen environmental chemicals, and thus significantly reduce associated time and costs. There is...
9.
Delannee V, Nicklaus M
J Cheminform
. 2020 Dec;
12(1):72.
PMID: 33292568
In the past two decades a lot of different formats for molecules and reactions have been created. These formats were mostly developed for the purposes of identifiers, representation, classification, analysis...
10.
Peach M, Beedie S, Chau C, Collins M, Markolovic S, Luo W, et al.
Molecules
. 2020 Dec;
25(23).
PMID: 33276504
Due to its antiangiogenic and anti-immunomodulatory activity, thalidomide continues to be of clinical interest despite its teratogenic actions, and efforts to synthesize safer, clinically active thalidomide analogs are continually underway....