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全部 专家会诊 MS LAMMPS/DL_POLY Gromacs/Amber/NAMD DS/Sybyl/Autodock Monte Carlo ME/Gulp Hyperchem CPMD/CP2K 资源 其他 版务
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[热点] 国自然申请面上模板最新2026版出了吗？ lice_1987 2026-01-19 刚刚
[DS/Syby ] [已完结]auto dock 计算时有包括配位键吗？急 (评阅+1) (1/589) 从现在做起 2014-06-08 2014-07-18 10:03:12 by bolix
[DS/Syby ] [已完结]酰胺基形成氢键问题 (评阅+1) (5/3920) 零等级 2014-07-11 2014-07-17 10:35:42 by 零等级
[DS/Syby ] [已完结]Autodock不显示运行时间及状态 (评阅+1) (2/828) autumns3 2014-07-06 2014-07-16 23:14:10 by autumns3
[DS/Syby ] [已完结]求助，Zdock在线结果的分析 (评阅+1) (1/2874) cuiqin0704 2014-05-28 2014-07-16 22:25:01 by zhangmao511
[DS/Syby ] [已完结]pdb数据库中的蛋白质晶体结构是否包含糖基化和磷酸化信息 (评阅+1) (1/870) 东湖渡者 2014-07-11 2014-07-16 10:57:46 by 东湖渡者
[DS/Syby ] [已完结]寻找Complex II蛋白晶体，见参考文献 (评阅+1) (0/291) dsj5216 2014-07-15 2014-07-15 22:29:38 by dsj5216
[DS/Syby ] [已完结]中药化学成分及其三维结构 (评阅+1) (2/554) @漂洋过海@ 2014-06-19 2014-07-10 17:34:54 by zxc1984
[DS/Syby ] [已完结]求助PyRx做虚拟筛选的使用教程 (3/2872) rtwen 2012-03-06 2014-07-10 12:58:42 by gslzzhixin
[DS/Syby ] [已完结]PYRX本地运行的问题 (5/1197) autodockytu 2012-11-24 2014-07-10 12:46:24 by gslzzhixin
[DS/Syby ] [已完结]用sybyl的spl生成20种氨基酸的一个结构 (评阅+1) (0/577) meatball1982 2014-07-09 2014-07-09 14:49:45 by meatball1982
[DS/Syby ] [已完结]Autodock无法分析对接结果 (评阅+1) (2/887) autumns3 2014-07-06 2014-07-06 23:36:16 by autumns3
[DS/Syby ] 【求助】DS问题，请求高人指点！很急，纠结了很久了！ (9/2572) chzhbin 2010-08-13 2014-07-05 12:58:51 by ts2009
[DS/Syby ] 【求助】ds对接出问题了 (评阅+1) (7/1660) yaoxue042 2010-11-29 2014-07-05 06:04:08 by sunxijunim
[DS/Syby ] [已完结]autodock新手还没上路，急哭，求大神指点 (评阅+1) (4/757) zhixin911 2014-06-20 2014-07-01 23:30:01 by lao7
[DS/Syby ] 【求助】autodock中PDB转pdbqt格式问题？ (评阅+1) (9/4045) 堕凡尘 2010-11-28 2014-07-01 20:40:46 by lao7
[DS/Syby ] autodock对接前配体分子结构的优化方法 (评阅+1) (4/2221) panfangli 2014-06-27 2014-07-01 20:00:14 by 朱雪刚521
[DS/Syby ] [已完结]新手关于autodock准备ligand分子时出现的问题 (评阅+1) (3/2326) 幻亦真 2014-06-27 2014-06-30 21:10:37 by pymol
[DS/Syby ] [已完结]linux下的autodock在run autodock时不出现dlg文件 (8/2333) 邓芳 2013-06-03 2014-06-30 08:00:18 by 幻亦真
[DS/Syby ] [已完结][关贴]Run AutoGrid出现这样的错误，怎样解决？ (1/442) 戴世杰 2014-06-28 2014-06-28 14:04:51 by 戴世杰
[DS/Syby ] [已完结]3D-QSAR建模 (评阅+1) (0/1604) 13581286695 2014-06-25 2014-06-25 13:27:37 by 13581286695
[DS/Syby ] liunx安装AutoDock (5/2035) x-cool 2012-05-19 2014-06-24 10:37:07 by linyingjia
[DS/Syby ] [已完结]使用UNIX进行AUTODOCK的对接，不知道有谁做过吗？ (评阅+1) (1/491) 科妍 2014-06-23 2014-06-23 20:58:23 by pymol
[DS/Syby ] [已完结]DS2.5安装出现这个界面是什么原因？怎么解决？ (评阅+1) (0/228) 戴世杰 2014-06-19 2014-06-19 19:16:47 by 戴世杰
[DS/Syby ] [已完结]怎样使用DS或者是autodock在模拟好的蛋白中加入铜离子 (评阅+1) (3/906) guojing113 2014-06-11 2014-06-19 09:16:24 by blue_cat
[DS/Syby ] [已完结]DS构建药效团decoy数据库构建 (8/1942) xiaodaolai 2013-10-15 2014-06-17 15:26:05 by xiaodaolai
[DS/Syby ] [已完结]如何将像TXT那样的蛋白质结构信息变成可识别的PDB结构，求大神指点。。。拜托拜托 (评阅+1) (7/1756) margaretli 2014-06-08 2014-06-15 20:59:37 by margaretli
[DS/Syby ] [已完结]做autodock时，受体中金属离子的处理 (7/1931) fangmi814 2012-12-21 2014-06-12 14:11:31 by pymol
[DS/Syby ] [已完结]薛定谔 glide sp dock 使用的一些疑问 (评阅+1) (2/1150) tbw258 2014-06-02 2014-06-11 20:53:31 by tbw258
[DS/Syby ] ucsf dock6 在ubuntu12的安装过程 (2/1586) lfcmike 2013-03-03 2014-06-11 15:46:47 by linyuxin
[DS/Syby ] [已完结]autodock怎么处理配体里的金属原子 (评阅+1) (2/1667) _蝶飞 2014-06-10 2014-06-11 13:01:39 by _蝶飞
[DS/Syby ] Pymol上Autodock插件，在Generate receptor时出错。系统Mac 10.9 (评阅+1) (1/1010) hijacklzs 2014-05-10 2014-06-11 11:15:13 by 0532shaka
[DS/Syby ] [已完结]蛋白质稳定性分析中ddG是什么意思？ (评阅+1) (0/949) 天湖酒 2014-06-10 2014-06-10 16:19:56 by 天湖酒
[DS/Syby ] [已完结]下载琥珀酸脱氢酶的蛋白 (评阅+1) (1/465) dsj5216 2014-06-10 2014-06-10 12:57:03 by lrf1980
[DS/Syby ] [已完结][关贴]DS运行后的文件保存路径怎么更改？ (评阅+1) (3/1377) @漂洋过海@ 2014-06-09 2014-06-09 19:55:46 by @漂洋过海@
[DS/Syby ] [已完结]小分子中含有Pt原子，怎么进行对接 (评阅+1) (0/420) _蝶飞 2014-06-09 2014-06-09 10:41:14 by _蝶飞
[DS/Syby ] [已完结][关贴]请问谁可以告诉我这种图如何做出来，重金感谢！！！！！！！！！！ (评阅+1) (1/357) 126406380 2014-06-08 2014-06-08 20:55:11 by earth
[DS/Syby ] [已完结]求助AutoDock如何设置参数使已有PDB文件中Mg离子与配体可以形成氢键氢键？ (评阅+1) (3/1340) lnu101 2014-04-09 2014-06-08 09:58:17 by arthurii
[DS/Syby ] [已完结]新人求助 (评阅+1) (0/242) 屁颠屁颠 2014-06-06 2014-06-06 13:57:33 by 屁颠屁颠
[DS/Syby ] [已完结]怎么用DS做无靶点对接 (评阅+1) (3/770) a356926674 2014-06-04 2014-06-05 14:36:57 by qianxiong
[DS/Syby ] 【求助】高手求助,Autodock4 最后一步无法对接,弄了几天! (评阅+1) (7/2317) jirousun 2010-12-06 2014-06-05 12:49:48 by earth
[DS/Syby ] [已完结]自学分子模拟 (评阅+1) (3/702) zhangyilong 2014-05-18 2014-06-04 18:15:08 by 朱雪刚521
[DS/Syby ] [已完结]运行autogrid时出现错误 (评阅+1) (4/1022) JKcarrot 2014-05-31 2014-06-04 14:34:33 by JKcarrot
[DS/Syby ] [已完结]对接得到负值是为什么呢？ (评阅+1) (3/1355) tinasheen 2014-06-04 2014-06-04 12:12:09 by younghe
[DS/Syby ] DS软件，安装nr数据库，找到同源蛋白，但是总提示 no associated structure， (评阅+1) (1/499) zodlee 2014-05-30 2014-06-03 16:12:26 by zodlee
[DS/Syby ] 【求助】用autodock做对接，请问里面格子大小及其中心的选择依据 (评阅+1) (9/2709) clwg 2010-10-09 2014-06-01 20:04:30 by huang0106
[DS/Syby ] [已完结]DS装机，连不上服务器 求助大家了！~ (评阅+1) (4/901) playet 2014-05-22 2014-05-31 08:17:05 by 老曼7
[DS/Syby ] [已完结]使用autodock4.2处理分子对接问题，在run autogrid时总是出错，请各位高人指点啊？？    ( 1 2 ) (10/3921) zhuling5798 2011-11-17 2014-05-31 07:01:47 by JKcarrot
[DS/Syby ] [已完结][关贴]NH4+对pdb文件 (评阅+1) (0/370) 柯艳萍 2014-05-27 2014-05-27 14:31:34 by 柯艳萍
[DS/Syby ] [已完结]DNA链的轴向压缩 (评阅+1) (0/351) dxl20132009 2014-05-27 2014-05-27 10:07:54 by dxl20132009
[DS/Syby ] [已完结][关贴]准备柔性残基时出问题了，run autogrid和autodock时不生成glg文件和dlg文件 (0/1259) jztxiaozhou 2014-05-23 2014-05-23 09:54:12 by jztxiaozhou
[DS/Syby ] [已完结][关贴]如何做NH4+的对接 (评阅+1) (0/372) 柯艳萍 2014-05-22 2014-05-22 21:56:40 by 柯艳萍
[DS/Syby ] [已完结][关贴]NH4+对接 (评阅+1) (2/365) 柯艳萍 2014-05-02 2014-05-22 21:52:14 by 柯艳萍
[DS/Syby ] [已完结]求一个SYBYL自带的Docking Suite Manual (评阅+1) (2/375) windf1ower 2014-05-20 2014-05-21 13:35:12 by iovvoi
[DS/Syby ] [已完结]Discovery Studio Max NUMBER of HITS (评阅+1) (0/395) 兮兮7986 2014-05-20 2014-05-20 14:55:41 by 兮兮7986
[DS/Syby ] [已完结]帮忙做一个对接 (评阅+1) (2/390) _蝶飞 2014-05-11 2014-05-19 17:06:09 by _蝶飞
[DS/Syby ] [已完结]surflex-dock 对接结果可靠性评价 (评阅+1) (2/890) mei_er 2014-05-10 2014-05-18 13:25:54 by mei_er
[DS/Syby ] [已完结]大神们帮忙看看什么原因2 (评阅+1) (2/373) 金文彬 2014-05-16 2014-05-17 14:43:43 by 金文彬
[DS/Syby ] [已完结]autodock4.0在win7下的安装 (评阅+1) (5/1747) dxl20132009 2014-04-24 2014-05-16 22:39:11 by ynqjmzq
[DS/Syby ] [已完结]SYBYL Surflex-dock问题 (评阅+1) (0/376) windf1ower 2014-05-16 2014-05-16 22:04:39 by windf1ower
[DS/Syby ] [已完结]Sybyl 2.0 计算出错 (2/948) michaelpao 2011-12-12 2014-05-16 17:05:14 by windf1ower
[DS/Syby ] 【资源】PyRx-基于autodock的虚拟筛选软件    ( 1 2 3 4 ) (评阅+3) (31/3997) shistory 2009-10-21 2014-05-09 12:20:03 by suckdick
[DS/Syby ] [已完结]快疯了，DS中blast就弄了三天，老出错，求助各位该怎么办？ (评阅+1) (2/503) xinr2010 2014-05-09 2014-05-09 11:08:18 by xinr2010
[DS/Syby ] 新版Sybyl X 2.1.1配套Prodat (评阅+1) (6/2346) khimii 2014-04-25 2014-05-08 14:51:10 by khimii
[DS/Syby ] [已完结]DS中，如何将下载的序列整合在一起啊？ (评阅+1) (2/533) xinr2010 2014-05-07 2014-05-08 09:12:04 by xinr2010
[DS/Syby ] 【求助】请教用DS做3D-QSAR问题    ( 1 2 ) (11/3533) 木子米米 2010-05-15 2014-05-07 18:15:25 by 倩430
[DS/Syby ] [已完结]请教sybyl中3D-QSAR的F值计算方法 (评阅+1) (1/1301) patent 2014-04-29 2014-05-04 15:57:33 by wbingxin2012
[DS/Syby ] pymol中的原子价态如何修改 (评阅+1) (1/661) s1g2k3 2014-05-04 2014-05-04 11:30:07 by iamthinking
[DS/Syby ] [已完结]auto grid 运行出错 (评阅+1) (5/1640) Vanbeam 2014-04-18 2014-05-03 20:55:58 by ferlich
[DS/Syby ] 【求助】求Accelrys DS Viewer Pro 6.0中文教程 (3/1225) Youngchsh 2011-04-15 2014-04-29 07:49:44 by ygq1990
[DS/Syby ] [已完结]配体导入 (评阅+1) (0/376) qiaomo151 2014-04-24 2014-04-24 21:03:51 by qiaomo151
[DS/Syby ] [已完结]求大神帮忙~用sybyl做COMFA时q2值太小，有时还是负的，怎么提高q2？ (评阅+1) (7/1815) 飘落的丘陵 2014-04-02 2014-04-24 12:25:31 by 飘落的丘陵
[DS/Syby ] [已完结][关贴]autodock (评阅+1) (2/320) 柯艳萍 2014-04-16 2014-04-23 19:28:10 by 柯艳萍
[DS/Syby ] [已完结]求助大神，如何应用sybyl进行主成分分析？ (评阅+1) (2/846) junjun0711 2014-03-19 2014-04-23 12:57:20 by junjun0711
[DS/Syby ] [已完结]求助！蛋白质同源建模，模板不是同工酶，而且相似性低于30%，下一步怎么办？    ( 1 2 ) (评阅+1) (12/3996) 厚德求是 2014-03-26 2014-04-23 10:50:45 by wbingxin2012
[DS/Syby ] [已完结]sybyl 中的药物全新设计模块在哪里? (评阅+1) (5/1176) patriciayxw 2014-04-11 2014-04-23 10:10:39 by wbingxin2012
[DS/Syby ] [已完结]ds (1/465) hellenwu74 2013-06-01 2014-04-21 16:06:08 by sunreiyi86
[DS/Syby ] [已完结]DNA (评阅+1) (0/468) dxl20132009 2014-04-21 2014-04-21 10:18:11 by dxl20132009
[DS/Syby ] [已完结]求助：对于对接的结果如何进行构象聚类，有哪些软件能进行这项工作 (评阅+1) (0/617) 林间笑客 2014-04-14 2014-04-14 20:31:02 by 林间笑客
[DS/Syby ] [已完结]autodock对接的氢键 (评阅+1) (7/1941) 柯艳萍 2014-03-31 2014-04-13 20:48:20 by arthurii
[DS/Syby ] sybyl的计算的是何种能量 (评阅+1) (0/893) patriciayxw 2014-04-11 2014-04-11 16:06:25 by patriciayxw
[DS/Syby ] [已完结]遇到麻烦了，小白什么也不懂，求大神指教 (评阅+6) (0/432) Galleries 2014-04-09 2014-04-09 09:59:16 by Galleries
[DS/Syby ] [已完结][关贴]UCSF chimera (评阅+1) (1/821) 柯艳萍 2014-04-06 2014-04-06 10:38:55 by smutao
[DS/Syby ] [已完结]求助 (评阅+1) (2/293) chenjihaha 2014-04-02 2014-04-03 14:41:45 by chenjihaha
[DS/Syby ] 【求助】用什么软件进行AUTODOCK前处理 (5/1694) 绿茶QJM 2010-08-27 2014-04-01 12:53:42 by 水儿CoCo
[DS/Syby ] [已完结]discovery studio 怎么计算B值？ (评阅+1) (0/808) 天湖酒 2014-03-31 2014-03-31 13:41:00 by 天湖酒
[DS/Syby ] [已完结][关贴]DS2.5中CDOCKER模块对接的问题 (3/1703) wangyan10 2011-12-12 2014-03-29 12:33:59 by waley89
[DS/Syby ] [已完结]UniRef90 在DS中怎么安装？ (1/429) godmoney 2011-06-30 2014-03-27 13:42:34 by 快乐旅程2009
[DS/Syby ] 运行autogrid，autodock时间一闪就完，并且不生成aotugrid之后那个dlg文件 (评阅+1) (2/950) 南湖的虫 2014-03-25 2014-03-27 08:18:35 by 南湖的虫
[DS/Syby ] Autodock在Ubuntu下的安装问题 (7/2361) Dionysius 2011-12-24 2014-03-25 21:36:44 by shjwu
[DS/Syby ] [已完结]Autodock的dlg文件有没有好的分析软件，一个一个另存导入到Pymol太慢了 (评阅+1) (3/1948) yuzhan 2014-03-21 2014-03-25 08:17:39 by pymol
[DS/Syby ] [已完结][关贴]求Accelrys Discovery Studio 2.5软件 (2/864) 玉笛神萧 2014-03-17 2014-03-22 20:46:21 by 玉笛神萧
[DS/Syby ] [已完结]DS2.5 结构优化添加立场时 出现alternative conformer (评阅+1) (2/387) patriciayxw 2014-03-22 2014-03-22 10:01:22 by patriciayxw
[DS/Syby ] [关贴]【求助】求助: DS中的小分子对接可以考虑金属离子的作用吗 (8/3491) zdm658 2010-03-12 2014-03-21 14:58:25 by @漂洋过海@
[DS/Syby ] [已完结][关贴]win7安装MGLtools问题    ( 1 2 ) (11/3749) 秦无殇 2013-08-08 2014-03-21 12:25:12 by 秦无殇
[DS/Syby ] [已完结]Autodock (评阅+6) (4/641) 柯艳萍 2014-03-17 2014-03-19 11:22:15 by philipcpp
[DS/Syby ] [已完结]sybyl中的蛋白质准备该如何准备？ (评阅+1) (1/730) 老曼7 2014-03-17 2014-03-18 12:55:00 by smutao
[DS/Syby ] [已完结]sybyl x对接老是出现Specified output directory already exisit 怎么处理？ (评阅+1) (0/421) 张路秀 2014-03-17 2014-03-17 16:36:47 by 张路秀
[DS/Syby ] [已完结]请问如何获取小分子的pdb文件    ( 1 2 ) (评阅+1) (13/4769) hzdtctc 2013-09-22 2014-03-12 14:02:44 by wukezhu
[DS/Syby ] [已完结]请教导入.mol格式文件的问题 (评阅+1) (3/719) paul34 2014-02-07 2014-03-12 08:18:57 by paul34
[DS/Syby ] [已完结]用autodock对接，用什么软件定点突变蛋白质    ( 1 2 ) (评阅+1) (14/4870) s1g2k3 2013-10-10 2014-03-11 15:54:50 by 1054950560
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