Niu Huang - Dissemin

Papers authored by Niu Huang

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2007 N. Huang

, Jacobson Mp

Physics-based methods for studying protein-ligand interactions.

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Wang Gf, N. Huang

, Meng Zh, Liu Qh

Identification of novel inhibitors of the streptogramin group A acetyltransferase via virtual screening.

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2006 Niu Huang

, Brian K. Shoichet, John J. Irwin

Benchmarking Sets for Molecular Docking

Download from www.ncbi.nlm.nih.gov

Nilesh K. Banavali, Niu Huang

, Alexander D. MacKerell

Conserved Patterns in Backbone Torsional Changes Allow For Single Base Flipping from Duplex DNA with Minimal Distortion of the Double Helix

Download from www.ncbi.nlm.nih.gov

Niu Huang

, Chakrapani Kalyanaraman, Katarzyna Bernacki, Matthew P. Jacobson

Molecular mechanics methods for predicting protein–ligand binding

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This paper was not found in any repository, but could be made available legally by the author.

2005 Niu Huang

, Chakrapani Kalyanaraman, John J. Irwin, Matthew P. Jacobson

Physics-Based Scoring of Protein−Ligand Complexes: Enrichment of Known Inhibitors in Large-Scale Virtual Screening

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Niu Huang

, Alexander D. MacKerell

Specificity in Protein–DNA Interactions: Energetic Recognition by the (Cytosine-C5)-methyltransferase from HhaI

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2004 Victor M. Anisimov, Guillaume Lamoureux, Igor V. Vorobyov, Niu Huang

, Benoît Roux, Alexander D. MacKerell

Determination of Electrostatic Parameters for a Polarizable Force Field Based on the Classical Drude Oscillator

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Niu Huang

, Alexander D. MacKerell

Atomistic view of base flipping in DNA

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Niu Huang

, Ashish Nagarsekar, Guanjun Xia, Jun Hayashi, Alexander D. MacKerell

Identification of Non-Phosphate-Containing Small Molecular Weight Inhibitors of the Tyrosine Kinase p56 Lck SH2 Domain via in Silico Screening against the pY + 3 Binding Site

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H. Peng, J. Qi, N. Huang

, P. Xie, Wang Jx, Yang Cz

[Molecular design and biological activity of BCR-ABL tyrosine kinase inhibitors].

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This paper is made freely available by the publisher.

Horton Jr, Gary Ratner, Marquez Ve, Niu Huang

, Martin A. Maier, Banavali Nk, Victor E. Marquez, Alexander D. MacKerell, Nilesh K. Banavali, Maier Ma, Yongseok Choi, MacKerell Ad, John R. Horton, Xiaodong Cheng

Caught in the act: visualization of an intermediate in the DNA base-flipping pathway induced by HhaI methyltransferase

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2003 Hui Peng, Niu Huang

, Jing Qi, Ping Xie, Chen Xu, Jianxiang Wang, Chunzheng Yang

Identification of novel inhibitors of BCR-ABL tyrosine kinase via virtual screening

Download from www.researchgate.net

2002 Niu Huang

, Nilesh K. Banavali, Alexander D. MacKerell

Protein-facilitated base-flipping in DNA by Cytosine-5-Methyltransferase

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Yongping Pan, Niu Huang

, Sam Cho, Alexander D. MacKerell

Consideration of Molecular Weight during Compound Selection in Virtual Target-Based Database Screening

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Niu Huang

, Alexander D. MacKerell

An ab Initio Quantum Mechanical Study of Hydrogen-Bonded Complexes of Biological Interest

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1997 Qiqing Zhu, Zongru Guo, Niu Huang

, Minmin Wang, Fengming Chu

Comparative Molecular Field Analysis of A Series of Paclitaxel Analogues

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Papers authored by Niu Huang